data_1wxm_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 1wxm _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 ' 9' ' ' THR . . . . . 0.409 ' N ' HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 t -142.05 147.76 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 28.4 mttt -96.94 131.14 44.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.465 HG13 ' CD1' ' A' ' 34' ' ' LEU . 24.7 t -116.11 121.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -94.95 112.33 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 mt -85.69 162.66 46.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -6.75 18.43 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.567 ' CB ' ' CZ ' ' A' ' 41' ' ' ARG . 1.3 t-20 -91.39 39.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 43.1 28.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 16' ' ' ASN . 2.9 mt-30 -122.33 168.7 11.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.89 151.37 42.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 t -140.97 135.06 30.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.88 131.85 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.5 t -122.3 162.89 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.9 m -86.88 141.44 28.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 9' ' ' THR . 1.8 t -87.95 110.09 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 19.9 mtp85 -110.83 153.13 25.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -108.23 69.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -179.85 -59.99 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.471 ' HG2' ' CG2' ' A' ' 67' ' ' ILE . 11.8 ptm -56.22 165.03 1.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 0.753 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.8 p -101.89 -173.76 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -76.93 -34.22 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 38.4 t80 -64.24 -57.02 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.1 -16.83 48.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.01 -62.16 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 12' ' ' VAL . 3.9 mm? -69.36 -10.26 57.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.6 t70 -44.18 -70.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 38' ' ' LEU . 8.2 mmmm -55.4 -49.73 71.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.491 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -40.12 -30.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' N ' ' C ' ' A' ' 36' ' ' LYS . 37.3 mt -90.39 -59.38 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' VAL . 28.3 mmtt -43.67 -48.28 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.3 p -39.85 -31.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CZ ' ' CB ' ' A' ' 16' ' ' ASN . 3.3 mtt-85 -108.74 -30.58 8.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.2 5.01 23.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 79' ' ' VAL . 21.3 mt -60.58 -177.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -152.01 157.32 41.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.401 ' NE2' ' HA ' ' A' ' 35' ' ' ASP . 23.9 mp0 -88.28 41.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.67 -43.88 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.1 t -119.71 38.37 3.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 95.4 m -141.04 152.21 44.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.509 HG22 ' CE1' ' A' ' 51' ' ' TYR . 3.5 p -137.33 155.53 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.58 HG23 ' CH2' ' A' ' 63' ' ' TRP . 42.2 t -122.61 126.45 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CE1' HG22 ' A' ' 49' ' ' VAL . 4.5 m-85 -107.24 142.85 36.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 10.6 mtm180 -102.07 152.23 21.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.32 103.03 15.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.3 mp -127.7 108.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? 57.16 24.18 9.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.73 46.72 7.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -143.74 125.63 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 97.11 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.425 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -97.87 104.99 17.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.436 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -40.32 151.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.404 ' CG2' ' HB ' ' A' ' 50' ' ' VAL . 1.1 t -130.95 161.01 32.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.84 161.9 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.58 ' CH2' HG23 ' A' ' 50' ' ' VAL . 92.8 m95 -88.72 -41.9 12.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -63.03 -32.48 73.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.9 m -45.03 165.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.55 162.14 13.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.471 ' CG2' ' HG2' ' A' ' 28' ' ' MET . 0.8 OUTLIER -104.51 -1.68 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.477 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -60.63 -55.14 47.86 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.97 55.33 3.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -145.23 34.06 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 71' ' ' ASP . 4.5 t0 -74.66 118.13 17.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.1 83.38 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -170.26 -170.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 110.344 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 4.6 mt-10 -153.85 133.66 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 9.9 mt -112.08 149.78 31.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 89.1 mt -116.07 114.33 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.444 HG23 ' CD1' ' A' ' 34' ' ' LEU . 58.2 t -96.06 116.92 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.461 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -124.72 172.13 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.466 ' CG2' HD22 ' A' ' 43' ' ' LEU . 95.7 t -101.02 129.39 52.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.1 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 11' ' ' LYS . 39.2 t -145.08 146.4 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' N ' HG12 ' A' ' 10' ' ' VAL . 6.1 mttt -92.68 131.05 38.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.414 ' CG1' HD11 ' A' ' 34' ' ' LEU . 76.7 t -116.01 120.92 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -90.5 111.17 22.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 mt -83.64 164.75 43.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.67 20.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.524 ' ND2' ' CZ ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -89.65 42.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt 40.1 29.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' ASN . 3.6 mt-30 -123.38 169.56 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 150.36 43.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.248 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -139.77 131.27 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.429 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.22 120.82 39.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.59 160.33 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.9 m -87.27 140.7 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 t -83.0 109.3 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 2.1 mtt180 -106.6 155.52 19.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -116.36 84.94 2.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.49 -66.18 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.469 ' HG3' ' CG2' ' A' ' 67' ' ' ILE . 8.3 ptm -58.3 176.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -111.58 176.08 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.73 -38.28 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.64 ' CD2' ' OE1' ' A' ' 45' ' ' GLN . 11.1 t80 -60.24 -56.23 24.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.15 -23.91 66.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.02 -62.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.414 HD11 ' CG1' ' A' ' 12' ' ' VAL . 3.6 mm? -68.42 -11.83 60.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' TYR . 6.4 t70 -45.14 -60.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -63.06 -55.43 25.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.494 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -39.33 -33.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.469 HD21 ' CG1' ' A' ' 77' ' ' VAL . 54.2 mt -90.98 -58.95 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -39.57 -49.22 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.4 p -39.12 -44.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.524 ' CZ ' ' ND2' ' A' ' 16' ' ' ASN . 4.5 mtt-85 -96.46 -26.98 15.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.51 16.42 22.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.442 1.089 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' CB ' HD22 ' A' ' 38' ' ' LEU . 18.7 mt -65.66 126.14 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.795 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.4 134.69 36.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.64 ' OE1' ' CD2' ' A' ' 31' ' ' TYR . 14.4 mt-30 -77.48 56.59 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -155.31 -45.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.2 m -92.53 16.35 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.4 m -133.86 147.34 51.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.33 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.458 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.7 p -128.57 160.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.9 t -126.17 129.3 72.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.8 m-85 -109.52 140.2 43.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.497 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 10.0 mtm-85 -95.6 138.86 32.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' N ' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -85.53 100.2 11.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -122.73 93.41 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.04 39.46 13.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.95 50.35 47.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -146.84 106.86 3.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.45 103.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.47 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.3 m -104.02 101.68 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' THR . 99.3 t -39.5 135.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.23 159.56 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.84 135.95 40.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.604 ' CE3' ' OE1' ' A' ' 45' ' ' GLN . 95.0 m95 -59.75 -43.33 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 108.003 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' THR . 22.7 m-20 -54.29 -39.6 67.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' ASP . 8.0 m -38.51 155.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.62 178.22 7.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 28' ' ' MET . 2.4 tp -120.07 9.67 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.495 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -77.97 -56.1 1.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.06 55.17 3.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -137.8 32.88 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -78.79 125.25 29.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.088 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.86 78.6 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 2.4 pp20? -161.84 -176.3 5.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 2.4 mt-10 -151.8 115.04 4.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 52' ' ' ARG . 10.3 mt -97.15 150.47 20.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.6 mt -117.88 111.94 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.469 ' CG1' HD21 ' A' ' 38' ' ' LEU . 43.8 t -94.2 110.25 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.4 mt-10 -110.97 161.4 15.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 p -109.46 124.36 66.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 11' ' ' LYS . 53.1 t -140.6 152.64 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' HG11 ' A' ' 10' ' ' VAL . 9.1 ttmt -91.99 127.91 37.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.469 HG11 ' CD1' ' A' ' 34' ' ' LEU . 25.3 t -114.5 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -89.7 110.78 21.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.72 164.14 48.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -8.04 19.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -91.16 40.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 42.05 28.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 16' ' ' ASN . 2.2 mt-30 -121.89 170.58 9.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.96 151.05 43.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 t -141.44 136.71 31.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 t -87.21 124.43 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.6 t -111.17 156.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.3 m -89.53 138.29 31.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 t -88.55 110.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -96.8 -29.97 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 60.51 115.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.349 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.64 -61.26 0.58 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.453 ' CG ' HG23 ' A' ' 67' ' ' ILE . 20.8 ptm -55.92 165.74 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -76.46 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.436 ' CG1' HD23 ' A' ' 34' ' ' LEU . 58.2 t -83.19 -26.85 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 21.8 t80 -61.3 -59.42 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -61.26 -25.14 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.78 -62.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' CD1' HG11 ' A' ' 12' ' ' VAL . 4.2 mm? -70.28 -9.78 57.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.5 t70 -46.65 -71.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.75 -52.7 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.499 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -41.96 -30.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.435 HD21 ' CG1' ' A' ' 77' ' ' VAL . 49.1 mt -91.88 -55.82 3.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.0 mmmt -43.42 -47.65 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.3 p -39.07 -34.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.404 ' NE ' ' HB2' ' A' ' 16' ' ' ASN . 1.9 mtt85 -107.72 -27.36 10.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.67 9.24 33.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.421 1.075 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 mt -57.94 159.14 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -108.0 156.85 18.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -94.74 40.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.94 -47.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.1 m -95.58 27.13 3.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 86.5 m -141.07 149.15 41.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 108.266 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.524 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.6 p -133.73 163.54 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.562 HG22 ' CH2' ' A' ' 63' ' ' TRP . 40.2 t -128.73 124.84 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.2 m-85 -105.88 142.57 35.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.47 ' HG2' ' CD2' ' A' ' 75' ' ' LEU . 18.9 mtm180 -120.43 137.3 54.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 100.28 9.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.468 HD11 ' CG2' ' A' ' 59' ' ' THR . 1.1 mp -100.73 -66.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.86 49.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.25 21.02 71.81 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -132.81 140.25 47.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.99 98.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.468 ' CG2' HD11 ' A' ' 54' ' ' ILE . 11.8 m -95.64 100.04 11.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.2 t -47.46 159.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 t -133.16 159.09 41.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.17 147.92 23.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.562 ' CH2' HG22 ' A' ' 50' ' ' VAL . 89.2 m95 -73.87 -24.3 59.72 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -78.85 -35.69 43.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.5 m -40.47 161.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.12 158.96 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.453 HG23 ' CG ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -97.84 18.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.485 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -78.71 -55.75 0.98 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.485 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 55.06 3.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.495 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.6 mm? -137.66 -43.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' A' ' 70' ' ' LEU . 15.3 t70 -32.69 110.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.84 57.32 1.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.478 ' OE2' ' CD1' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -161.87 -167.86 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.777 . . . . 0.0 110.277 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.9 mt-10 -148.23 120.16 8.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.478 ' CD1' ' OE2' ' A' ' 73' ' ' GLU . 1.2 mp -102.87 147.07 27.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 92.0 mt -118.3 111.09 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.435 ' CG1' HD21 ' A' ' 38' ' ' LEU . 57.2 t -91.87 113.8 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.7 mt-10 -115.27 161.54 18.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 p -110.57 121.9 64.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 90.0 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.928 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.424 HG22 ' CG2' ' A' ' 24' ' ' VAL . 89.3 t -138.4 141.45 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' HG12 ' A' ' 10' ' ' VAL . 24.4 mttt -85.36 125.53 33.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 34' ' ' LEU . 25.3 t -111.33 113.11 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -83.7 114.03 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mt -87.71 158.72 50.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 70.69 5.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.5 t-20 174.72 51.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER 38.5 31.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 16' ' ' ASN . 6.2 mt-30 -118.7 158.99 24.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -145.3 150.83 37.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -141.11 129.1 21.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t -84.11 128.84 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.52 156.57 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.4 m -83.54 143.52 30.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.424 ' CG2' HG22 ' A' ' 10' ' ' VAL . 1.9 t -92.45 109.55 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -114.18 111.17 21.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -71.7 64.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.17 -52.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.474 ' HG2' ' CG2' ' A' ' 67' ' ' ILE . 14.6 ptm -67.1 164.95 16.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 0.725 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -97.86 177.68 5.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -72.98 -43.2 59.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' ASP . 55.2 t80 -55.25 -55.74 27.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -60.05 -23.4 63.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.11 -62.39 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.444 ' CD1' HG13 ' A' ' 12' ' ' VAL . 3.4 mm? -67.09 -10.97 55.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' TYR . 9.1 t0 -49.18 -52.08 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -74.28 -50.58 18.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.477 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -39.68 -30.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.472 HD21 ' CG1' ' A' ' 77' ' ' VAL . 60.0 mt -90.95 -57.76 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -40.73 -51.3 3.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 5.3 p -38.61 -42.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' LEU . 2.9 mtt-85 -96.13 -25.01 16.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 103.51 9.33 38.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.457 HD23 ' CG2' ' A' ' 79' ' ' VAL . 25.8 mt -67.17 160.95 25.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -121.07 163.27 18.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -95.01 41.39 1.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.91 -52.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 t -105.94 37.2 2.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.7 m -140.55 160.33 40.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 108.343 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.509 HG12 ' CZ ' ' A' ' 51' ' ' TYR . 3.6 p -150.08 152.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 27.4 t -120.21 126.11 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.2 m-85 -104.99 143.47 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.495 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 6.3 mtm180 -102.64 140.94 36.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -83.46 105.42 14.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -126.53 94.31 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.3 37.32 11.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.13 51.92 30.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -150.98 110.29 3.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.35 110.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.477 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.1 m -111.63 97.58 6.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 65.3 t -39.49 149.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.97 163.74 22.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.19 162.63 14.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -91.74 -20.47 21.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.06 21.21 8.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.9 m -96.46 159.26 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.54 154.07 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.474 ' CG2' ' HG2' ' A' ' 28' ' ' MET . 0.6 OUTLIER -101.74 16.85 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -77.13 -55.83 1.33 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -74.94 55.18 3.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -141.24 36.73 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.47 99.44 8.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.52 86.81 0.97 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -170.04 -167.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -152.41 119.9 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 46.3 mt -97.34 137.52 36.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.1 mt -114.13 109.84 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.472 ' CG1' HD21 ' A' ' 38' ' ' LEU . 62.1 t -93.0 110.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 20.6 mt-10 -125.02 150.04 47.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.457 ' CG2' HD23 ' A' ' 43' ' ' LEU . 37.5 t -77.72 139.92 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 11' ' ' LYS . 71.0 t -136.86 139.19 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' N ' HG12 ' A' ' 10' ' ' VAL . 25.1 mttt -85.26 125.98 33.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.452 ' CG1' HD12 ' A' ' 34' ' ' LEU . 56.9 t -112.46 110.86 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -78.39 117.16 19.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 mt -89.22 160.38 42.87 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 70.39 5.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 18' ' ' GLN . 2.3 t30 174.04 51.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 38.61 31.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' ASN . 3.6 mt-30 -118.07 163.81 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.91 150.3 32.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -138.96 126.74 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.384 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 t -83.98 124.53 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 t -117.51 151.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.8 m -72.93 151.5 41.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -98.59 109.79 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.68 -157.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -146.73 -48.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.23 58.05 2.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.468 ' CE ' ' OG ' ' A' ' 33' ' ' SER . 19.3 ptm -177.3 158.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 0.724 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 p -99.98 -176.72 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.951 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.6 t -74.15 -33.59 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 17.3 t80 -59.66 -59.27 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.04 -22.75 66.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.468 ' OG ' ' CE ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -78.89 -62.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.452 HD12 ' CG1' ' A' ' 12' ' ' VAL . 3.8 mm? -68.3 -14.57 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 6.0 t0 -41.98 -57.3 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -63.03 -58.46 7.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.421 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -39.39 -30.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.467 HD21 ' CG1' ' A' ' 77' ' ' VAL . 25.3 mt -89.08 -63.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' GLY . 13.4 mttt -39.53 -52.5 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.421 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.5 p -39.2 -48.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 16' ' ' ASN . 25.1 mtp180 -87.84 -24.61 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 99.96 12.53 39.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.27 167.61 14.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.795 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.523 ' ND2' ' H ' ' A' ' 45' ' ' GLN . 2.9 t30 -117.59 172.63 7.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.523 ' H ' ' ND2' ' A' ' 44' ' ' ASN . 15.2 mp0 -103.72 42.58 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.76 -46.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.2 m -93.33 21.98 5.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.282 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.2 m -141.12 157.31 45.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 108.301 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.532 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 3.4 p -141.38 160.56 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.564 HG22 ' CH2' ' A' ' 63' ' ' TRP . 21.4 t -128.04 124.07 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.4 m-85 -105.12 142.63 34.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.451 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 42.2 mtp180 -109.89 133.2 53.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.32 105.13 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 59' ' ' THR . 1.7 mp -123.61 101.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 54' ' ' ILE . 0.0 OUTLIER 82.78 -53.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.15 40.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -149.67 143.95 25.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 0.754 . . . . 0.0 110.353 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -71.14 110.12 5.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.478 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 15.9 m -105.53 95.54 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.6 t -43.01 148.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 t -124.09 156.07 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.412 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.461 ' CB ' ' OG1' ' A' ' 65' ' ' THR . . . -88.45 145.61 25.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.564 ' CH2' HG22 ' A' ' 50' ' ' VAL . 84.4 m95 -71.06 -19.81 62.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.03 29.04 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.461 ' OG1' ' CB ' ' A' ' 62' ' ' ALA . 1.9 m -102.59 151.27 22.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.65 160.56 29.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.461 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 0.9 OUTLIER -113.29 22.9 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.545 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -79.84 -58.67 0.6 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.545 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.02 51.23 2.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.523 ' CD2' ' C ' ' A' ' 69' ' ' PRO . 2.2 mm? -141.89 30.13 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -75.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.51 96.55 1.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.492 ' OE2' ' CD1' ' A' ' 75' ' ' LEU . 1.7 pp20? -169.71 -173.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 5.1 mt-10 -147.33 113.66 5.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.492 ' CD1' ' OE2' ' A' ' 73' ' ' GLU . 1.1 mt -91.67 143.16 26.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 61.4 mt -117.35 113.01 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.467 ' CG1' HD21 ' A' ' 38' ' ' LEU . 49.3 t -93.62 113.44 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.8 mt-10 -115.05 161.43 18.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 p -111.53 119.31 59.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 11' ' ' LYS . 93.3 t -138.13 143.47 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' N ' HG12 ' A' ' 10' ' ' VAL . 7.7 mtmt -84.5 126.22 33.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.474 HG11 ' CD1' ' A' ' 34' ' ' LEU . 55.2 t -115.3 112.46 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -82.57 115.5 21.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.955 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 mt -86.15 164.62 37.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -5.23 16.54 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.787 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.497 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -92.42 34.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 37.0 pttt 49.17 23.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -117.56 177.34 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 151.31 38.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -140.36 132.82 28.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.431 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 t -87.19 123.41 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.8 t -110.62 160.64 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.7 m -82.07 148.05 28.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 71' ' ' ASP . 4.2 t -98.83 109.77 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 11.6 mtp180 -115.92 158.99 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -115.56 82.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.47 -64.96 0.19 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.516 ' CG ' ' CG2' ' A' ' 67' ' ' ILE . 15.1 ptm -52.06 169.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.0 p -101.89 -172.43 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.6 t -80.42 -31.56 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASP . 15.2 t80 -64.49 -57.11 10.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.6 -19.6 62.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.14 -62.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.474 ' CD1' HG11 ' A' ' 12' ' ' VAL . 4.1 mm? -70.57 -7.97 47.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.1 t70 -46.62 -73.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.6 -50.19 63.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.489 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -39.9 -30.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.424 ' N ' ' C ' ' A' ' 36' ' ' LYS . 36.4 mt -91.49 -57.66 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 40' ' ' VAL . 21.5 mmmt -42.36 -48.28 5.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.2 p -38.95 -35.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.417 ' NE ' ' HB2' ' A' ' 16' ' ' ASN . 3.4 mtt85 -106.24 -28.07 10.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.46 10.47 29.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.82 167.53 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.445 ' ND2' ' N ' ' A' ' 45' ' ' GLN . 1.8 t30 -114.29 163.75 14.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.445 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 7.4 mp0 -101.06 41.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -146.37 -46.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 56.1 m -92.62 22.08 4.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.331 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 62.7 m -140.94 146.09 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.524 HG11 ' CZ ' ' A' ' 51' ' ' TYR . 6.3 p -130.15 163.63 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 47.7 t -128.58 124.48 61.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 5.1 m-85 -103.59 142.02 35.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 24.1 mtm180 -117.26 145.06 44.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.58 95.67 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.5 mp -92.79 -70.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.05 51.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.56 31.18 77.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.25 140.85 28.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HE3' ' CD1' ' A' ' 76' ' ' ILE . 4.2 mttp -62.72 110.05 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.475 ' CG2' HD13 ' A' ' 54' ' ' ILE . 2.1 m -108.85 104.7 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.7 t -47.7 152.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.29 159.75 35.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.453 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.62 158.68 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -83.76 -27.14 29.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 107.993 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -31.91 59.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.4 m -42.7 162.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.409 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.35 163.49 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.516 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 0.8 OUTLIER -103.34 12.39 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.507 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -79.66 -56.96 0.73 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.507 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.1 Cg_endo -75.0 53.4 3.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 71' ' ' ASP . 0.8 OUTLIER -140.36 -43.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.534 ' C ' ' O ' ' A' ' 70' ' ' LEU . 25.7 t70 -29.4 128.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.86 56.38 3.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.5 ' OE2' ' CD1' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -160.68 -165.77 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 0.792 . . . . 0.0 110.335 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 14.8 mt-10 -147.99 113.17 5.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.5 ' CD1' ' OE2' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -96.51 144.14 26.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.426 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 84.8 mt -117.39 109.52 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.428 ' CG2' HD13 ' A' ' 34' ' ' LEU . 48.1 t -91.7 112.69 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -115.97 161.08 19.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 p -108.18 124.33 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.6 t -139.61 150.54 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.547 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -96.41 129.07 43.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' A' ' 34' ' ' LEU . 75.4 t -118.08 142.93 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -114.92 118.19 32.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.8 mt -89.41 157.44 47.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 54.13 3.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -155.42 24.25 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 mttp 64.48 11.94 6.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -107.32 166.21 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.57 154.43 42.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.2 t -137.72 141.18 41.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 t -93.51 123.78 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.8 t -110.03 168.44 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 m -97.33 143.35 28.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 t -92.76 110.28 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 23.6 mtp180 -121.21 126.49 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.99 78.17 9.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.86 -60.08 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.483 ' CG ' ' CG2' ' A' ' 67' ' ' ILE . 15.9 ptm -62.65 174.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.744 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.7 p -107.53 -175.49 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.0 t -78.21 -32.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' ASP . 48.2 t80 -62.24 -58.8 6.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.84 -22.36 65.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.19 -62.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.449 ' CD1' HG13 ' A' ' 12' ' ' VAL . 4.0 mm? -67.78 -17.99 64.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.3 t0 -39.28 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -50.5 52.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.496 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -43.2 -29.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.473 HD22 ' CG1' ' A' ' 77' ' ' VAL . 59.0 mt -90.27 -60.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 7.2 mmmm -39.96 -50.66 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 5.2 p -39.4 -45.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' LEU . 21.0 mtp85 -91.76 -30.87 16.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.02 10.27 22.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.2 mt -67.41 175.34 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -135.45 163.58 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -98.11 38.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -125.35 -52.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -106.86 42.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.336 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 90.3 m -141.13 163.43 32.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 108.282 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.529 HG12 ' CE1' ' A' ' 51' ' ' TYR . 3.2 p -149.31 152.86 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.529 HG22 ' CH2' ' A' ' 63' ' ' TRP . 42.7 t -121.36 124.75 72.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 2.8 m-85 -103.68 138.46 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.486 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 46.7 mtm180 -116.31 138.95 50.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' N ' HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -84.4 96.28 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.7 mp -95.2 -64.55 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -121.08 35.25 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.75 11.8 78.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -122.12 138.73 54.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -62.11 98.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.47 ' CG2' HD12 ' A' ' 54' ' ' ILE . 1.5 m -94.1 104.23 16.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.8 t -54.18 142.28 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.417 ' HB ' ' CD ' ' A' ' 52' ' ' ARG . 1.2 t -117.99 161.37 19.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.442 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.32 162.34 17.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.529 ' CH2' HG22 ' A' ' 50' ' ' VAL . 92.2 m95 -91.54 -25.95 18.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.48 -28.93 37.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' A' ' 66' ' ' ALA . 16.8 m -45.76 171.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.426 ' N ' ' CG2' ' A' ' 65' ' ' THR . . . -100.33 164.58 11.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.483 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 1.2 tp -106.42 10.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.473 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -77.61 -55.2 1.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 58.13 4.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -142.46 21.49 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.66 113.95 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.67 94.07 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 2.2 pp20? -175.65 -164.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 0.781 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.547 ' OE2' ' CB ' ' A' ' 11' ' ' LYS . 8.6 mm-40 -151.29 134.37 15.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.478 ' CD2' ' HG2' ' A' ' 52' ' ' ARG . 1.7 mt -115.73 131.22 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.4 mt -113.97 112.04 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.473 ' CG1' HD22 ' A' ' 38' ' ' LEU . 95.7 t -89.78 131.73 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -142.89 171.83 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.4 t -97.05 131.84 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.8 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.99 145.17 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -92.91 128.74 38.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 34' ' ' LEU . 25.5 t -115.24 114.37 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -87.44 115.49 24.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mt -89.75 158.27 45.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.47 3.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.416 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER 171.96 42.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mttt 46.18 25.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 16' ' ' ASN . 5.8 mt-30 -112.95 158.43 20.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.5 151.87 38.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -140.36 134.02 30.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 t -88.5 134.61 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.7 t -126.78 166.82 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.0 m -87.48 148.79 24.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.382 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 71' ' ' ASP . 2.8 t -92.28 109.97 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 9.4 mtt85 -114.94 -169.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.3 -49.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.1 -73.31 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.48 ' CG ' ' CG2' ' A' ' 67' ' ' ILE . 11.7 ptm -42.3 165.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.1 m -110.89 -174.9 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.3 t -67.43 -45.6 85.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ASP . 7.0 t80 -59.0 -51.27 70.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.05 -30.23 70.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -54.84 6.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' A' ' 12' ' ' VAL . 4.2 mm? -83.27 10.88 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' TYR . 8.9 t0 -64.58 -53.79 42.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -70.97 -49.68 42.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -39.96 -34.5 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.484 HD23 ' CG1' ' A' ' 77' ' ' VAL . 45.7 mt -89.91 -64.49 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.6 mttp -39.57 -55.09 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' LYS . 7.5 p -39.44 -44.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 41' ' ' ARG . 8.1 mtp-105 -87.21 -30.4 21.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 106.04 11.34 28.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD1' HD21 ' A' ' 38' ' ' LEU . 24.3 mt -66.0 -177.9 0.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.408 HD21 ' N ' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -136.85 152.33 50.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.408 ' N ' HD21 ' A' ' 44' ' ' ASN . 15.4 mp0 -87.97 42.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.97 -49.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.6 m -95.15 27.45 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 90.7 m -140.4 166.72 23.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.298 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.521 HG12 ' CZ ' ' A' ' 51' ' ' TYR . 5.7 p -149.94 157.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.571 HG22 ' CH2' ' A' ' 63' ' ' TRP . 21.2 t -125.15 132.63 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.548 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 2.7 m-85 -112.55 136.37 52.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 9.7 mtm180 -104.14 137.93 41.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.72 92.02 8.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.5 mp -99.22 -70.21 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.96 50.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.37 23.61 62.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -131.28 130.21 42.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.36 104.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.481 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 2.0 m -98.21 97.99 9.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -49.01 125.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.45 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -106.92 142.73 36.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.431 ' CB ' ' OG1' ' A' ' 65' ' ' THR . . . -75.47 158.16 33.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.571 ' CH2' HG22 ' A' ' 50' ' ' VAL . 86.2 m95 -81.29 -52.07 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -50.73 -30.92 15.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.431 ' OG1' ' CB ' ' A' ' 62' ' ' ALA . 15.5 m -47.67 158.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.47 165.88 12.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.48 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 1.6 tp -100.73 -0.41 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.464 ' N ' ' CD ' ' A' ' 69' ' ' PRO . . . -68.29 -54.76 14.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.96 55.59 3.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.424 ' CD2' HD13 ' A' ' 67' ' ' ILE . 0.1 OUTLIER 176.46 125.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.43 ' HB2' ' CG1' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -154.4 -60.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' N ' ' OE2' ' A' ' 73' ' ' GLU . . . -80.44 67.16 3.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.419 ' OE2' ' N ' ' A' ' 72' ' ' GLY . 0.9 OUTLIER -160.31 -173.83 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -140.8 117.63 11.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.285 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.492 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 1.9 mt -90.25 137.92 31.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 79.4 mt -115.93 113.05 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.484 ' CG1' HD23 ' A' ' 38' ' ' LEU . 95.6 t -91.9 131.74 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -140.3 168.21 20.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.427 ' CG2' HD22 ' A' ' 43' ' ' LEU . 93.2 t -101.78 130.24 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.4 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.0 t -139.22 149.47 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -88.81 127.35 35.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 HG12 ' CD1' ' A' ' 34' ' ' LEU . 39.2 t -114.14 108.4 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -83.04 116.19 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 37' ' ' ALA . 12.1 mt -89.84 158.16 45.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 71.96 4.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.0 38.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt 50.34 22.89 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -111.93 160.87 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.6 150.66 34.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -141.22 132.7 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 t -85.1 124.89 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.87 160.12 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.4 m -83.18 145.0 29.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -82.81 109.54 16.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.508 ' CB ' ' SD ' ' A' ' 28' ' ' MET . 5.2 mmt180 -105.58 159.57 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -136.05 43.46 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.42 41.94 0.24 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.508 ' SD ' ' CB ' ' A' ' 25' ' ' ARG . 14.8 ptm -164.74 159.02 18.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -79.66 177.23 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.9 t -79.07 -32.49 15.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASP . 9.4 t80 -60.68 -53.81 52.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -63.1 -24.42 67.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -61.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.468 HD11 ' CG2' ' A' ' 77' ' ' VAL . 4.1 mm? -72.37 -5.9 39.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.1 t70 -45.68 -63.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -54.86 -54.37 43.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 14' ' ' LEU . . . -39.84 -31.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD2' HG12 ' A' ' 77' ' ' VAL . 37.0 mt -90.76 -52.5 4.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -41.36 -49.59 3.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.34 -45.22 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' LEU . 20.2 mtp85 -95.45 17.14 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.27 27.09 3.69 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 HD22 ' CG2' ' A' ' 79' ' ' VAL . 28.1 mt -76.79 -177.84 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 0.74 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -134.78 164.18 28.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 35' ' ' ASP . 14.1 mp0 -100.21 35.52 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -125.69 -49.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.28 35.03 2.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 108.333 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 78.9 m -140.98 147.74 39.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 108.284 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 51' ' ' TYR . 2.4 p -134.68 147.1 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.578 HG22 ' CH2' ' A' ' 63' ' ' TRP . 38.4 t -113.96 126.98 71.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.555 ' CE1' HG12 ' A' ' 49' ' ' VAL . 3.0 m-85 -102.95 138.82 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.494 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 12.0 mtm-85 -98.89 136.41 38.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.476 ' CD2' HD11 ' A' ' 76' ' ' ILE . 1.3 mm? -80.95 102.83 10.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.494 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -125.29 94.78 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 62.83 35.84 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.81 47.04 42.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -144.79 111.17 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 103.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.439 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -103.63 101.78 11.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' THR . 59.5 t -39.16 147.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.417 ' CG2' ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -127.79 164.49 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.411 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.06 157.83 15.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.578 ' CH2' HG22 ' A' ' 50' ' ' VAL . 91.3 m95 -85.92 -41.05 15.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 108.048 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -65.0 -28.92 69.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.7 m -46.71 168.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.397 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.19 169.49 9.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.45 HG22 ' CG ' ' A' ' 28' ' ' MET . 1.1 tp -109.23 18.66 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.502 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -80.29 -56.23 0.72 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.03 56.03 4.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.431 1.753 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.508 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.8 mm? -133.13 -42.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' A' ' 70' ' ' LEU . 15.2 t0 -32.03 115.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.52 56.13 2.32 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -162.82 -169.88 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 7.1 mt-10 -146.49 122.46 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.474 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 57.1 mt -102.61 130.86 49.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.476 HD11 ' CD2' ' A' ' 53' ' ' LEU . 84.1 mt -110.33 113.13 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.468 ' CG2' HD11 ' A' ' 34' ' ' LEU . 61.2 t -88.92 128.65 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.437 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -137.54 167.29 21.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.433 ' CG2' HD22 ' A' ' 43' ' ' LEU . 70.1 t -102.91 130.66 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 t -141.34 149.96 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.91 131.82 36.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.8 t -119.14 139.75 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -110.91 114.87 28.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 mt -87.33 156.84 53.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.54 3.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.444 1.76 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.45 ' CG ' ' NH2' ' A' ' 41' ' ' ARG . 1.4 t-20 -156.6 25.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.9 mttt 62.48 13.43 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.34 165.9 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 ptt85 -145.05 156.9 44.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.6 t -139.45 144.61 38.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.3 t -93.13 122.19 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.6 t -109.91 165.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 46.3 m -97.49 140.48 31.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -86.72 109.63 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 4.4 mtp-105 -115.19 149.58 37.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -106.08 74.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.64 -57.83 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.492 ' CE ' ' OG ' ' A' ' 33' ' ' SER . 14.2 ptm -58.1 166.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.7 m -102.51 -169.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -80.17 -35.92 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.602 ' CE2' ' CD ' ' A' ' 45' ' ' GLN . 8.0 t80 -67.46 -53.05 32.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.11 -14.56 38.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.492 ' OG ' ' CE ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -91.87 -60.85 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.471 HD13 ' CG2' ' A' ' 77' ' ' VAL . 4.1 mm? -72.22 -5.35 35.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 5.3 t70 -46.31 -63.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 14.7 mmmt -59.4 -53.78 54.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.511 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -41.13 -32.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.498 HD23 ' CG1' ' A' ' 77' ' ' VAL . 21.5 mt -92.03 -54.24 3.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.426 ' HB2' ' HA ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -48.06 -34.82 10.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 14.7 p -59.66 -32.74 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' LEU . 2.9 mtt-85 -109.94 2.62 19.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 65.73 22.98 70.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 79' ' ' VAL . 31.6 mt -70.71 162.69 28.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -102.7 160.51 14.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 31' ' ' TYR . 2.1 mp0 -97.01 22.46 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -129.56 -43.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.0 m -91.28 20.08 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 108.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.9 m -137.5 147.52 45.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.553 HG21 ' CE1' ' A' ' 51' ' ' TYR . 1.5 p -132.9 159.41 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.574 HG22 ' CH2' ' A' ' 63' ' ' TRP . 40.9 t -126.09 122.63 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.553 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.5 m-85 -101.09 139.7 36.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 17.6 mtp180 -102.97 133.78 47.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' N ' HD21 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -77.24 103.19 7.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.476 ' CD1' ' HB ' ' A' ' 59' ' ' THR . 1.9 mp -126.41 93.49 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.61 23.96 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.32 36.46 23.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.539 1.149 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -135.22 112.76 10.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.253 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 105.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.476 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 24.2 m -105.75 99.67 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.433 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -39.58 153.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.91 151.02 49.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.77 162.11 25.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.574 ' CH2' HG22 ' A' ' 50' ' ' VAL . 95.9 m95 -89.48 -37.45 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 108.029 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.58 -32.48 72.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' A' ' 66' ' ' ALA . 17.1 m -46.05 171.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.426 ' N ' ' CG2' ' A' ' 65' ' ' THR . . . -100.39 163.54 12.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.49 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 0.9 OUTLIER -104.21 10.08 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.48 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -69.85 -55.26 8.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.02 54.78 3.75 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.574 1.829 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -144.12 24.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.52 123.11 22.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.67 76.77 0.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 2.8 pp20? -165.34 -167.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 4.4 mt-10 -150.01 117.02 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.363 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.484 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 4.4 mt -95.82 137.84 34.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 65.0 mt -113.9 114.36 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.498 ' CG1' HD23 ' A' ' 38' ' ' LEU . 58.8 t -92.42 125.01 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.514 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -133.03 169.75 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.442 ' CG2' HD21 ' A' ' 43' ' ' LEU . 43.6 t -104.79 133.72 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.5 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.348 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.443 HG22 ' CG2' ' A' ' 24' ' ' VAL . 54.1 t -136.24 146.07 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -92.07 130.63 37.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.454 ' CG1' HD12 ' A' ' 34' ' ' LEU . 65.2 t -120.45 120.89 64.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -87.54 117.01 26.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.9 mt -89.14 159.56 44.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.54 4.29 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.407 ' C ' ' N ' ' A' ' 18' ' ' GLN . 1.9 t-20 173.85 40.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt 47.77 24.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' N ' ' C ' ' A' ' 16' ' ' ASN . 9.7 mt-30 -111.87 162.53 15.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.68 153.68 41.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 t -141.39 136.91 31.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.8 t -92.76 126.1 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.8 t -115.16 162.26 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.2 m -89.37 133.38 34.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.443 ' CG2' HG22 ' A' ' 10' ' ' VAL . 1.8 t -83.18 109.8 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.92 174.38 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -134.16 49.16 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.35 44.25 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.447 ' CG ' HG22 ' A' ' 67' ' ' ILE . 15.5 ptm -169.09 163.12 11.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.0 p -92.98 -177.79 4.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.1 t -78.15 -28.85 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ASP . 32.2 t80 -62.85 -56.79 14.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -62.57 -27.0 68.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.408 ' CB ' HD11 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -75.53 -62.49 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.035 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.454 HD12 ' CG1' ' A' ' 12' ' ' VAL . 4.0 mm? -68.21 -13.73 62.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.1 t70 -41.36 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 1.4 ptmt -50.85 -44.47 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.02 -29.97 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.465 HD21 ' CG1' ' A' ' 77' ' ' VAL . 40.7 mt -91.58 -57.27 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 7.5 mmmm -44.59 -52.01 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' LYS . 14.1 p -38.08 -47.37 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -87.9 -32.32 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.0 10.88 20.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.475 HD22 ' CG2' ' A' ' 79' ' ' VAL . 26.1 mt -67.85 178.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -131.77 159.72 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' A' ' 35' ' ' ASP . 3.1 mp0 -94.42 41.69 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -140.24 -47.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.366 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.8 m -101.83 32.85 3.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.0 m -141.35 151.4 43.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 108.316 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.547 HG21 ' CE1' ' A' ' 51' ' ' TYR . 2.4 p -137.73 148.84 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.469 ' CG2' ' CH2' ' A' ' 63' ' ' TRP . 24.6 t -117.39 125.05 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.547 ' CE1' HG21 ' A' ' 49' ' ' VAL . 5.4 m-85 -104.22 140.28 38.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.523 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 6.9 mtm105 -105.51 134.44 48.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.66 103.73 11.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.523 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.7 mp -123.53 107.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.54 -55.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.35 40.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.02 153.28 37.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.76 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -78.32 113.03 15.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.422 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -106.42 102.47 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 61' ' ' THR . 66.5 t -47.41 137.8 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.406 ' N ' HG13 ' A' ' 60' ' ' VAL . 1.3 t -113.11 163.46 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.46 136.96 40.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.469 ' CH2' ' CG2' ' A' ' 50' ' ' VAL . 89.7 m95 -63.98 -26.41 68.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 108.015 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -72.76 -39.07 67.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.9 m -39.52 159.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 110.44 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.47 176.51 7.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.447 HG22 ' CG ' ' A' ' 28' ' ' MET . 1.8 tp -117.36 2.87 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.482 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -76.95 -55.48 1.43 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.99 54.96 3.79 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.422 ' CD2' ' O ' ' A' ' 69' ' ' PRO . 2.1 mm? -148.72 26.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.85 128.3 35.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.2 71.87 0.86 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 3.0 pp20? -163.17 -173.55 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 2.8 mt-10 -149.36 130.73 14.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 4.7 mt -112.32 152.31 28.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.0 mt -119.0 113.65 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.465 ' CG1' HD21 ' A' ' 38' ' ' LEU . 60.2 t -94.37 123.46 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.424 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -134.14 172.32 13.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.475 ' CG2' HD22 ' A' ' 43' ' ' LEU . 91.0 t -99.17 132.43 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.1 t -143.99 146.31 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HB2' ' OE2' ' A' ' 74' ' ' GLU . 17.8 mttt -89.49 128.8 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 34' ' ' LEU . 77.5 t -117.25 112.36 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -81.4 115.28 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mt -85.35 163.78 43.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.38 17.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -91.68 39.28 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? 44.26 27.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 16' ' ' ASN . 1.4 mt-30 -122.19 174.67 6.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.99 152.45 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -141.35 128.39 20.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -87.68 119.69 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.6 157.61 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.5 m -85.35 150.99 24.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.91 109.89 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.9 OUTLIER -117.39 93.0 4.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -54.65 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.255 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 164.5 -66.68 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.445 ' CG ' HG22 ' A' ' 67' ' ' ILE . 22.0 ptm -56.53 163.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -90.49 176.4 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.5 t -77.65 -29.1 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' ASP . 17.4 t80 -63.22 -57.89 8.98 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -60.87 -26.16 67.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.06 -62.57 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.467 ' CD1' HG12 ' A' ' 12' ' ' VAL . 3.2 mm? -65.72 -20.39 66.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.4 t0 -44.07 -57.05 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -61.02 -55.24 35.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.501 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -43.24 -27.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.449 HD22 ' CG1' ' A' ' 77' ' ' VAL . 25.7 mt -90.55 -58.61 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -43.34 -48.51 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.246 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.3 p -39.54 -38.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -101.17 -28.01 12.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.48 9.48 29.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.5 mt -61.76 162.83 8.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.81 142.44 45.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.542 ' OE1' ' CZ3' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -86.17 45.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.08 -48.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.4 m -91.94 15.76 12.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 108.249 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.7 m -125.15 161.32 27.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 108.311 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.476 HG12 ' CE1' ' A' ' 51' ' ' TYR . 4.1 p -142.85 156.14 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.483 HG23 ' CH2' ' A' ' 63' ' ' TRP . 42.3 t -125.14 128.19 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 2.6 m-85 -107.28 142.15 37.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.486 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 37.1 mtm180 -119.03 140.51 49.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.401 ' N ' HD21 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -83.66 98.97 9.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.4 mp -100.9 -63.48 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -123.8 49.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.77 20.3 68.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.84 137.49 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -60.55 98.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.475 ' CG2' HD13 ' A' ' 54' ' ' ILE . 4.0 m -95.4 99.38 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 77.3 t -48.37 153.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 t -126.54 156.91 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.61 152.09 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.542 ' CZ3' ' OE1' ' A' ' 45' ' ' GLN . 62.2 m95 -78.48 -26.47 46.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -92.35 35.13 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.2 m -104.67 165.12 11.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.69 161.14 15.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.445 HG22 ' CG ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -110.47 18.1 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.076 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.509 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -79.74 -56.52 0.76 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 50.4 2.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.464 ' CD1' ' CD ' ' A' ' 73' ' ' GLU . 1.4 mm? -121.87 -41.0 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 70' ' ' LEU . 18.3 t0 -37.3 100.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 103.02 59.71 0.73 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.464 ' CD ' ' CD1' ' A' ' 70' ' ' LEU . 4.8 pt-20 -170.76 -177.01 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' OE2' ' HB2' ' A' ' 11' ' ' LYS . 6.3 mm-40 -140.88 131.66 25.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.482 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 1.3 mt -110.41 137.15 48.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 81.2 mt -115.61 109.4 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.449 ' CG1' HD22 ' A' ' 38' ' ' LEU . 94.1 t -91.78 115.08 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 18.5 mt-10 -134.14 145.85 49.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.91 136.11 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.7 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.415 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 3.8 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.8 t -138.17 147.94 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -90.79 130.26 36.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' A' ' 34' ' ' LEU . 64.9 t -119.18 112.83 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -81.99 118.77 23.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 41' ' ' ARG . 11.2 mt -89.62 160.6 41.3 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 73.17 4.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER 173.98 41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt 48.3 24.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 16' ' ' ASN . 3.4 mt-30 -110.5 164.33 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.85 151.56 34.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.0 t -141.3 134.72 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.415 ' CG1' ' HB ' ' A' ' 9' ' ' THR . 2.8 t -87.75 131.09 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.5 t -121.35 155.91 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -83.46 147.79 27.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 t -95.68 109.89 23.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -115.12 103.38 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.43 78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 175.98 -62.33 0.1 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.483 ' CG ' ' CG2' ' A' ' 67' ' ' ILE . 20.4 ptm -58.23 168.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.4 p -96.68 -174.21 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.6 t -80.61 -42.7 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.552 ' CE1' ' NE2' ' A' ' 45' ' ' GLN . 39.3 t80 -55.54 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.52 -24.37 31.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -52.88 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.468 HD11 ' CG1' ' A' ' 12' ' ' VAL . 4.3 mm? -86.86 17.18 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.7 t70 -73.28 -50.97 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -76.49 -49.8 15.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.483 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -39.45 -31.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.464 HD22 ' CG1' ' A' ' 77' ' ' VAL . 39.8 mt -88.84 -58.9 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 41' ' ' ARG . 11.4 mttt -44.05 -49.33 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 10.2 p -40.0 -30.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 14' ' ' LEU . 3.0 mtt-85 -106.19 -31.33 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.74 3.3 18.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.475 HD23 ' CG2' ' A' ' 79' ' ' VAL . 23.3 mt -68.17 168.13 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -138.58 157.22 46.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.552 ' NE2' ' CE1' ' A' ' 31' ' ' TYR . 10.8 mp0 -86.66 44.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -125.52 -50.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 t -112.77 38.38 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.1 m -141.0 148.24 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.521 HG11 ' CZ ' ' A' ' 51' ' ' TYR . 5.5 p -133.65 154.63 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.567 HG22 ' CH2' ' A' ' 63' ' ' TRP . 47.9 t -122.22 121.8 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 5.8 m-85 -100.11 139.74 35.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.448 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 27.5 mtm180 -114.34 138.73 50.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -89.25 93.81 9.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.477 HD13 ' CG2' ' A' ' 59' ' ' THR . 1.6 mp -95.48 -63.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.29 45.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.03 22.65 74.26 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.57 142.4 48.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -65.75 107.21 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.477 ' CG2' HD13 ' A' ' 54' ' ' ILE . 8.1 m -103.56 107.78 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.0 t -53.11 144.21 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.15 162.35 22.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.22 162.41 14.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 50' ' ' VAL . 86.6 m95 -90.49 -19.21 24.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -96.33 25.26 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.5 m -98.44 163.43 12.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.36 155.06 19.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.483 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 0.8 OUTLIER -101.13 16.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.495 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -78.04 -55.94 1.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.04 54.5 3.68 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.8 mm? -132.67 -42.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.477 ' C ' ' O ' ' A' ' 70' ' ' LEU . 52.7 t0 -34.49 105.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.08 54.54 1.18 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.484 ' OE2' ' CD1' ' A' ' 75' ' ' LEU . 1.3 pp20? -161.03 -169.01 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 7.2 mt-10 -147.73 123.71 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.254 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.484 ' CD1' ' OE2' ' A' ' 73' ' ' GLU . 1.2 mt -106.22 139.33 40.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 79.8 mt -116.9 110.91 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.464 ' CG1' HD22 ' A' ' 38' ' ' LEU . 86.3 t -91.71 126.89 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.41 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -139.06 172.0 13.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.475 ' CG2' HD23 ' A' ' 43' ' ' LEU . 62.3 t -98.76 134.46 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 11' ' ' LYS . 93.1 t -140.25 144.2 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' N ' HG12 ' A' ' 10' ' ' VAL . 2.5 mtmt -92.05 129.51 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.474 HG12 ' CD1' ' A' ' 34' ' ' LEU . 17.5 t -114.57 112.73 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -83.51 116.09 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 41' ' ' ARG . 6.7 mt -80.95 163.15 56.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 18.2 Cg_endo -75.02 92.89 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.777 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER 158.31 -56.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 16' ' ' ASN . 0.3 OUTLIER 165.19 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -61.66 161.52 9.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.88 151.12 34.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 t -130.85 133.01 45.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -91.5 119.56 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.5 t -106.25 155.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.4 m -88.93 147.63 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.77 110.06 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -117.4 143.03 46.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.25 77.02 2.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.77 -57.38 0.17 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.49 ' CG ' ' CG2' ' A' ' 67' ' ' ILE . 16.4 ptm -58.06 162.42 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 p -106.08 175.53 5.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.8 -35.34 74.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' ASP . 78.9 t80 -64.04 -57.56 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.29 -20.36 62.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -62.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 12' ' ' VAL . 3.5 mm? -66.76 -17.12 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.4 t70 -39.89 -71.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -49.63 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.497 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -41.49 -32.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.504 ' CD1' ' OE1' ' A' ' 45' ' ' GLN . 10.2 mt -91.38 -60.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.5 mptt -40.64 -49.44 3.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 5.1 p -38.08 -41.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.471 ' HD2' ' CD1' ' A' ' 14' ' ' LEU . 5.2 mtt-85 -101.56 -24.44 14.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 109.34 5.35 30.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.454 HD22 ' CG2' ' A' ' 79' ' ' VAL . 24.0 mt -64.9 152.75 42.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -109.37 159.4 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.607 ' OE1' ' CZ3' ' A' ' 63' ' ' TRP . 2.3 mm100 -96.95 41.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.14 -51.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.9 34.76 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.3 m -141.01 155.27 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.48 HG12 ' CZ ' ' A' ' 51' ' ' TYR . 2.5 p -137.32 148.86 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 25.8 t -116.61 124.76 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.536 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.0 m-85 -103.43 141.21 36.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.485 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 44.2 mtm180 -116.77 146.33 42.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -89.42 98.03 11.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.8 mp -99.21 -70.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.48 52.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.55 36.49 93.27 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.59 139.28 21.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 0.8 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 108.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.464 ' CG2' HD13 ' A' ' 54' ' ' ILE . 2.2 m -105.92 103.07 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.5 t -52.07 148.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.87 164.18 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.367 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.45 161.7 16.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.607 ' CZ3' ' OE1' ' A' ' 45' ' ' GLN . 94.3 m95 -90.58 -38.41 13.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.013 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -67.94 -30.06 69.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 66' ' ' ALA . 16.8 m -46.95 171.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.425 ' N ' ' CG2' ' A' ' 65' ' ' THR . . . -99.39 171.95 7.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.49 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 1.1 tp -109.92 17.05 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.488 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -77.2 -55.72 1.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 56.96 4.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.525 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.5 mm? -139.4 -43.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.525 ' C ' ' O ' ' A' ' 70' ' ' LEU . 65.1 t0 -28.96 114.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.96 60.15 1.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -165.5 -164.08 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 6.0 mt-10 -146.72 134.53 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.471 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 2.4 mt -115.28 133.07 56.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 82.0 mt -113.26 110.43 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' A' ' 38' ' ' LEU . 58.5 t -88.59 132.88 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.536 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -141.13 168.02 20.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.454 ' CG2' HD22 ' A' ' 43' ' ' LEU . 84.8 t -101.88 131.56 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 t -139.11 149.18 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.74 129.73 39.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 34' ' ' LEU . 30.3 t -118.69 111.19 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -80.11 118.25 21.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mt -91.17 160.75 36.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 77.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 16' ' ' ASN . 1.2 p30 168.06 42.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 46.39 25.52 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -111.99 163.85 13.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.22 152.78 37.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 t -138.76 133.29 31.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 t -89.32 124.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -114.73 158.25 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.4 m -86.07 148.52 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.364 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG1' ' HB2' ' A' ' 71' ' ' ASP . 2.5 t -89.3 110.21 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -108.9 -152.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.52 -46.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.06 56.39 2.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.482 ' CG ' ' CG2' ' A' ' 67' ' ' ILE . 13.1 ptm -178.13 162.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -105.11 -167.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.95 -38.43 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' ASP . 41.2 t80 -58.39 -59.26 5.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.32 -21.38 61.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.06 -62.66 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.468 ' CD1' HG13 ' A' ' 12' ' ' VAL . 3.5 mm? -67.67 -15.44 63.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.7 t70 -42.01 -55.92 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -63.36 -56.45 16.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -39.7 -30.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.466 HD21 ' CG1' ' A' ' 77' ' ' VAL . 36.0 mt -89.88 -66.47 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' LEU . 15.3 mttt -39.77 -52.76 2.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 p -39.96 -45.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 41' ' ' ARG . 5.2 mtp-105 -87.16 -32.43 19.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.52 9.72 20.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.7 mt -69.08 -179.55 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -144.19 156.56 44.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -88.5 40.21 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -125.21 -44.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.5 t -116.61 37.05 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.269 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.2 m -139.66 158.73 43.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.258 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.491 HG12 ' CZ ' ' A' ' 51' ' ' TYR . 3.3 p -148.34 152.9 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 48.6 t -121.7 123.29 69.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.2 m-85 -101.9 140.28 36.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.507 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 8.2 mtm-85 -103.63 130.51 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.49 101.48 9.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.7 mp -118.51 96.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 54' ' ' ILE . 0.0 OUTLIER 84.13 -51.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.04 40.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -146.49 142.48 28.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.56 108.6 5.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.461 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.2 m -102.3 97.61 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.9 t -43.54 134.34 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.42 ' CG2' ' HB ' ' A' ' 50' ' ' VAL . 1.3 t -110.62 154.76 23.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.96 143.01 26.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.44 ' CH2' HG23 ' A' ' 50' ' ' VAL . 89.0 m95 -69.35 -19.4 63.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -80.0 -39.88 29.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -38.8 156.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.404 ' HB1' ' CD ' ' A' ' 69' ' ' PRO . . . -86.48 163.13 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.482 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 8.2 tp -95.74 -6.12 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.491 ' N ' ' CD ' ' A' ' 69' ' ' PRO . . . -66.26 -52.83 35.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.96 58.55 4.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.509 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 3.4 mm? -139.78 -44.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' A' ' 70' ' ' LEU . 26.8 t70 -32.07 116.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.13 51.65 3.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -156.98 -166.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 11.0 mt-10 -150.1 114.83 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.476 ' CD2' ' HG2' ' A' ' 52' ' ' ARG . 20.7 mt -99.06 136.62 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 83.8 mt -114.86 109.38 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 38' ' ' LEU . 95.4 t -91.69 111.6 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 25.5 mt-10 -127.54 149.85 49.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.5 t -77.6 139.82 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.7 t -141.57 151.89 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -91.4 125.18 36.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.462 ' CG1' HD13 ' A' ' 34' ' ' LEU . 65.1 t -113.14 106.76 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -77.88 115.89 17.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.0 mt -86.11 164.57 38.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -5.36 16.69 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.505 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -92.05 34.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 11.1 pttt 49.03 23.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.13 178.0 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.51 151.24 41.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.5 t -138.24 129.74 27.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.8 t -83.8 126.61 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.3 t -116.93 162.33 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.1 m -89.05 141.47 28.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 t -90.48 109.91 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -119.13 98.98 6.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.86 82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 170.61 -73.64 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.479 ' CG ' HG21 ' A' ' 67' ' ' ILE . 17.7 ptm -46.29 153.21 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 65' ' ' THR . 22.8 t -80.01 175.58 10.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.1 t -74.84 -41.85 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ASP . 18.6 t80 -53.79 -55.64 24.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.67 -27.6 66.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -54.73 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.462 HD13 ' CG1' ' A' ' 12' ' ' VAL . 4.0 mm? -83.59 11.83 6.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -69.85 -54.15 14.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -71.17 -48.12 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.497 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -42.37 -33.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.479 HD21 ' CG1' ' A' ' 77' ' ' VAL . 53.1 mt -90.0 -59.53 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -43.11 -48.23 6.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.7 p -40.54 -33.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -103.98 -32.58 9.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.75 8.04 16.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.455 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 24.2 mt -66.38 148.53 51.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.92 155.27 18.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -89.25 39.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -140.78 -46.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 80' ' ' LEU . 5.4 m -93.18 22.35 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.455 ' SG ' ' CD2' ' A' ' 43' ' ' LEU . 57.9 m -141.13 144.39 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.468 HG12 ' CZ ' ' A' ' 51' ' ' TYR . 3.6 p -127.33 157.63 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.574 ' CG2' ' CH2' ' A' ' 63' ' ' TRP . 47.3 t -124.04 118.49 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.468 ' CZ ' HG12 ' A' ' 49' ' ' VAL . 6.5 m-85 -98.88 139.85 33.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.491 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 28.4 mtm-85 -98.5 136.69 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -84.29 102.43 12.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.4 mp -124.88 91.38 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.12 44.7 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.38 51.11 60.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -148.98 107.32 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -57.27 109.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.475 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.6 m -109.3 100.12 9.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.2 t -41.33 135.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.0 162.26 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.438 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.07 159.64 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.574 ' CH2' ' CG2' ' A' ' 50' ' ' VAL . 59.8 m95 -85.6 -34.76 21.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 107.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -90.89 48.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.405 ' O ' ' OG ' ' A' ' 29' ' ' SER . 88.6 m -119.09 163.62 16.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.93 143.59 26.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.479 HG21 ' CG ' ' A' ' 28' ' ' MET . 0.6 OUTLIER -92.19 18.92 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.53 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -73.42 -57.76 2.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 51.03 2.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.499 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.7 mm? -130.02 -40.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' A' ' 70' ' ' LEU . 19.2 t0 -32.89 113.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.8 63.16 1.7 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.465 ' OE2' ' CD1' ' A' ' 75' ' ' LEU . 1.1 pp20? -166.74 -169.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.1 mt-10 -150.56 127.2 10.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.465 ' CD1' ' OE2' ' A' ' 73' ' ' GLU . 1.2 mt -109.14 148.62 30.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 95.2 mt -116.37 113.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.479 ' CG1' HD21 ' A' ' 38' ' ' LEU . 86.4 t -93.58 103.84 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.42 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -104.9 160.15 15.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 p -110.64 120.85 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' CYS . 70.5 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.432 ' CG1' ' OE2' ' A' ' 73' ' ' GLU . 85.3 t -134.3 145.2 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 23.0 mttt -93.23 132.4 37.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' CG1' HD13 ' A' ' 34' ' ' LEU . 66.5 t -120.17 133.36 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -99.04 115.43 28.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.67 163.85 63.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.175 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 87.12 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 165.0 -57.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER 165.65 -29.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -63.66 163.45 11.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.55 157.31 44.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.409 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 14.8 t -135.56 143.43 45.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.8 t -97.1 126.38 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.61 158.26 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.3 m -89.81 135.4 33.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.363 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.7 109.82 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 16.1 mtp85 -115.01 169.25 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -123.76 81.94 1.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.35 -60.56 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.093 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.535 ' CG ' ' CG2' ' A' ' 67' ' ' ILE . 17.9 ptm -55.93 162.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.0 p -98.24 177.71 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.3 t -70.36 -33.97 56.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' ASP . 13.3 t80 -61.72 -57.59 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.1 -19.64 61.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.24 -61.89 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD13 ' CG1' ' A' ' 12' ' ' VAL . 4.0 mm? -70.76 -7.02 41.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.3 t70 -48.92 -57.87 5.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -59.71 -56.99 14.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.466 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -38.75 -33.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.507 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 73.3 mt -90.23 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' LEU . 7.5 mttp -39.6 -50.63 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.6 p -39.47 -45.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.2 mtp180 -90.97 -31.13 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.59 10.49 23.24 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.97 169.08 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.463 ' ND2' ' H ' ' A' ' 45' ' ' GLN . 5.3 t30 -117.13 173.06 6.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.463 ' H ' ' ND2' ' A' ' 44' ' ' ASN . 13.9 mp0 -107.7 41.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.23 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -140.89 -51.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.8 m -94.65 28.01 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.2 m -141.22 143.01 33.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.316 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.541 HG13 ' CE1' ' A' ' 51' ' ' TYR . 7.2 p -125.76 159.7 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.523 ' CG2' ' CH2' ' A' ' 63' ' ' TRP . 56.2 t -126.55 120.12 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CE1' HG13 ' A' ' 49' ' ' VAL . 5.9 m-85 -100.56 141.0 34.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.485 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 8.9 mtm180 -100.55 132.41 45.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' CD2' HD13 ' A' ' 76' ' ' ILE . 1.1 mm? -79.85 105.28 11.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -126.95 95.32 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.01 37.57 11.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.32 46.66 62.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -144.94 110.41 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.786 . . . . 0.0 110.28 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HE3' ' CD1' ' A' ' 76' ' ' ILE . 12.9 mptt -57.96 110.88 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.475 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.2 m -108.48 99.77 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' THR . 53.1 t -40.28 143.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.439 ' CG2' ' HB ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -127.15 163.37 23.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.84 157.8 16.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.523 ' CH2' ' CG2' ' A' ' 50' ' ' VAL . 86.0 m95 -81.8 -35.84 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -34.31 77.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.9 m -43.89 159.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.77 172.15 8.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.535 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 1.2 tp -110.52 5.92 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.665 ' N ' ' CD ' ' A' ' 69' ' ' PRO . . . -78.06 -42.25 2.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 52.48 3.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.434 1.754 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.415 ' CD2' ' C ' ' A' ' 69' ' ' PRO . 4.0 mm? -136.23 -59.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 t70 58.0 -89.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -124.44 111.8 1.66 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' OE2' ' CG1' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -174.07 -166.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 2.2 mt-10 -145.84 140.92 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 52' ' ' ARG . 7.1 mt -124.11 156.15 37.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.442 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 71.6 mt -119.14 116.74 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.507 ' CG1' ' CD2' ' A' ' 38' ' ' LEU . 88.6 t -93.2 103.7 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -102.41 159.27 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.3 p -114.15 117.15 54.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.467 HG23 ' CG2' ' A' ' 24' ' ' VAL . 90.1 t -138.57 141.92 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' N ' HG12 ' A' ' 10' ' ' VAL . 2.4 mtpt -88.0 131.04 34.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.435 HG11 ' CD1' ' A' ' 34' ' ' LEU . 73.2 t -116.92 116.25 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -89.2 111.28 22.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.8 mt -83.58 162.78 52.15 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -2.71 12.9 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.449 1.763 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.497 ' ND2' HH21 ' A' ' 41' ' ' ARG . 1.3 t30 -94.91 38.67 1.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? 44.83 27.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -122.02 169.57 10.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.32 149.94 40.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.8 t -141.52 133.81 28.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 t -90.13 129.83 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.9 t -120.99 153.66 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 m -75.85 144.29 41.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.467 ' CG2' HG23 ' A' ' 10' ' ' VAL . 2.2 t -90.88 109.83 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.7 OUTLIER -113.62 133.27 55.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -98.1 49.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.11 38.8 0.29 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.485 ' CG ' HG23 ' A' ' 67' ' ' ILE . 17.3 ptm -167.81 148.97 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 0.788 . . . . 0.0 110.998 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -73.54 -171.92 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' CG1' HD22 ' A' ' 34' ' ' LEU . 72.4 t -87.52 -33.9 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' ASP . 57.0 t80 -56.93 -59.69 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.33 -25.15 61.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.45 -62.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.448 HD22 ' CG1' ' A' ' 30' ' ' VAL . 3.2 mm? -67.37 -10.78 54.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.9 t70 -48.52 -59.37 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -63.24 -54.66 33.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.476 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -39.66 -36.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.496 HD22 ' CG1' ' A' ' 77' ' ' VAL . 80.8 mt -90.14 -57.57 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.459 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -40.61 -50.77 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.1 p -39.36 -42.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.497 HH21 ' ND2' ' A' ' 16' ' ' ASN . 0.8 OUTLIER -94.45 -31.55 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.87 6.88 22.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.473 HD22 ' CG2' ' A' ' 79' ' ' VAL . 25.3 mt -67.46 140.03 57.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -100.06 160.34 14.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -94.72 39.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.35 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.05 -45.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.6 t -109.68 35.71 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.246 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.5 m -140.92 144.28 35.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 108.275 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.509 HG22 ' CE1' ' A' ' 51' ' ' TYR . 2.5 p -129.93 150.04 34.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.502 HG23 ' CH2' ' A' ' 63' ' ' TRP . 39.8 t -117.31 129.25 74.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CE1' HG22 ' A' ' 49' ' ' VAL . 4.4 m-85 -107.98 140.83 40.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.489 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 9.8 mtm-85 -99.6 146.76 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.423 ' N ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -89.13 102.46 15.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -125.33 93.39 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.08 42.34 12.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.81 52.01 46.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -149.28 110.3 4.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 0.754 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 103.25 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.464 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 2.0 m -103.7 101.71 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.2 t -39.45 157.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.23 158.9 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.56 162.21 17.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.502 ' CH2' HG23 ' A' ' 50' ' ' VAL . 94.0 m95 -88.98 -24.98 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -93.43 34.15 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 m -104.46 160.26 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.68 152.36 23.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.485 HG23 ' CG ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -101.04 19.87 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.52 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -79.02 -57.23 0.78 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.52 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 54.47 3.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.5 mm? -136.33 -43.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 70' ' ' LEU . 24.9 t0 -31.77 106.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.6 57.89 1.09 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -164.77 -165.55 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.4 mt-10 -154.3 124.51 6.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.467 ' CD2' ' HG2' ' A' ' 52' ' ' ARG . 19.9 mt -104.75 150.01 25.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.8 mt -118.46 116.35 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.496 ' CG1' HD22 ' A' ' 38' ' ' LEU . 98.3 t -93.94 127.78 45.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.493 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -136.74 169.45 17.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 110.316 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.473 ' CG2' HD22 ' A' ' 43' ' ' LEU . 42.1 t -102.09 134.81 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.44 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 3.3 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.3 t -139.39 145.2 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.6 132.02 37.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.468 ' CG1' HD13 ' A' ' 34' ' ' LEU . 89.0 t -120.63 115.03 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -81.38 118.53 22.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.22 161.55 42.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.98 4.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -160.78 30.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt 57.07 17.53 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.05 170.44 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.242 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.9 154.36 41.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 t -138.17 134.18 34.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.44 ' CG1' ' HB ' ' A' ' 9' ' ' THR . 3.4 t -88.0 132.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 t -125.79 151.47 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.9 m -80.9 143.41 32.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.2 t -87.44 109.76 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.409 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.5 OUTLIER -111.78 128.38 56.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -86.26 73.78 10.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -179.61 -67.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.462 ' HG2' ' CG2' ' A' ' 67' ' ' ILE . 13.2 ptm -54.49 169.68 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 0.76 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -109.84 175.81 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.44 -41.47 92.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' ASP . 11.1 t80 -60.26 -54.59 43.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -18.27 57.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.7 -59.2 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.958 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.468 HD13 ' CG1' ' A' ' 12' ' ' VAL . 4.0 mm? -74.51 -2.02 23.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' TYR . 4.6 t70 -53.36 -50.87 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -75.07 -54.29 7.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -38.31 -33.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.467 HD22 ' CG1' ' A' ' 77' ' ' VAL . 21.6 mt -87.9 -63.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.4 mttp -43.22 -53.27 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -41.05 -42.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.7 mtp85 -87.98 -27.26 22.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 104.53 12.61 28.2 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.4 mt -73.79 171.5 13.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -122.04 169.39 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -99.16 39.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -142.45 -47.08 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' LEU . 11.2 p -93.67 23.02 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 78.7 m -141.36 145.81 35.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 108.268 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.541 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.1 p -135.69 156.4 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 57.7 t -120.8 125.04 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CE1' HG13 ' A' ' 49' ' ' VAL . 4.8 m-85 -104.47 137.29 42.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.501 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 4.3 mtm105 -95.53 143.71 26.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.42 ' N ' HD21 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -89.41 99.44 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -119.98 93.67 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.7 34.55 12.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.98 49.11 23.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -146.12 110.73 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.25 108.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.468 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.2 m -110.25 99.15 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 61' ' ' THR . 97.2 t -40.42 141.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.422 ' N ' HG11 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -124.31 138.2 54.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.91 159.37 33.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -81.71 -30.84 32.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 107.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.46 -24.93 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.8 m -48.36 159.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.31 169.46 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.462 ' CG2' ' HG2' ' A' ' 28' ' ' MET . 1.5 tp -110.57 6.08 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.493 ' N ' ' CD ' ' A' ' 69' ' ' PRO . . . -77.04 -52.75 1.84 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 68' ' ' ALA . 18.1 Cg_endo -75.07 57.82 4.74 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.762 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' GLY . 3.3 mm? -136.9 -54.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 6.0 t0 50.87 -92.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -114.75 121.32 5.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.57 -168.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -142.86 140.18 31.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.48 ' CD2' ' HG2' ' A' ' 52' ' ' ARG . 12.7 mt -125.77 140.11 52.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 94.9 mt -111.39 114.09 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.467 ' CG1' HD22 ' A' ' 38' ' ' LEU . 91.6 t -95.32 108.37 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.452 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -110.59 161.56 15.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 p -108.99 117.06 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 47' ' ' CYS . 46.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.414 ' N ' HG22 ' A' ' 24' ' ' VAL . 2.5 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 11' ' ' LYS . 24.9 t -140.02 149.01 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' N ' HG12 ' A' ' 10' ' ' VAL . 2.2 mtpt -91.55 129.59 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.426 HG11 ' CD1' ' A' ' 34' ' ' LEU . 71.7 t -116.32 112.65 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -84.17 116.42 22.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 mt -88.68 159.15 47.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 70.36 5.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.5 t-20 175.01 51.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER 38.73 30.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' ASN . 2.1 mt-30 -118.14 159.97 22.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.57 150.57 34.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 t -141.19 134.02 28.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.368 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t -86.48 133.43 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -124.89 160.2 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 m -77.4 156.58 31.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 9' ' ' THR . 8.9 t -97.64 109.64 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.492 ' CB ' ' SD ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -108.33 149.33 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -121.03 79.68 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.03 -63.9 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.492 ' SD ' ' CB ' ' A' ' 25' ' ' ARG . 12.9 ptm -54.51 162.42 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -85.7 177.79 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.8 t -77.05 -32.9 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 35' ' ' ASP . 13.1 t80 -59.55 -56.56 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.52 -24.54 66.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.08 -60.31 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' CD1' HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -74.14 -3.05 27.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 31' ' ' TYR . 5.9 t0 -52.03 -53.08 46.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -65.82 -56.56 11.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -38.3 -32.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.495 HD21 ' CG1' ' A' ' 77' ' ' VAL . 52.9 mt -89.58 -62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' GLY . 15.0 mttt -39.56 -53.55 2.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' LYS . 14.7 p -39.0 -45.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' LEU . 22.3 mtp85 -88.92 -27.54 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 103.68 10.58 35.03 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 79' ' ' VAL . 24.8 mt -65.05 177.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -130.7 157.81 41.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 35' ' ' ASP . 9.9 mp0 -92.37 40.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -138.26 -50.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.6 m -98.01 30.96 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.3 m -140.99 151.87 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.524 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.3 p -136.64 155.04 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.574 HG21 ' CH2' ' A' ' 63' ' ' TRP . 26.0 t -121.82 129.76 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.524 ' CE1' HG13 ' A' ' 49' ' ' VAL . 2.7 m-85 -109.14 143.1 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HG2' ' CD2' ' A' ' 75' ' ' LEU . 37.4 mtm180 -115.15 141.4 48.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.54 96.47 10.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.495 HD11 ' CG2' ' A' ' 59' ' ' THR . 1.5 mp -98.55 -72.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.81 37.86 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.63 33.04 58.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.2 144.33 34.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.299 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.483 ' HG3' ' CB ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -65.23 97.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.495 ' CG2' HD11 ' A' ' 54' ' ' ILE . 29.3 m -97.45 97.7 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.9 t -44.16 156.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.33 155.87 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.75 162.49 20.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.574 ' CH2' HG21 ' A' ' 50' ' ' VAL . 94.3 m95 -88.68 -44.05 10.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.28 -25.5 65.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 66' ' ' ALA . 18.9 m -48.8 170.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.407 ' N ' ' CG2' ' A' ' 65' ' ' THR . . . -97.67 169.68 9.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.464 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.1 tp -106.83 7.75 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.481 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -71.99 -55.6 5.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -74.95 57.02 4.4 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.534 1.808 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.537 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.5 mm? -140.79 -44.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.8 t0 -29.08 120.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.46 58.27 2.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.513 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 2.2 pp20? -162.14 -169.25 2.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 11.2 mt-10 -147.42 113.94 5.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.489 ' CD1' ' OE2' ' A' ' 73' ' ' GLU . 1.5 mt -95.18 139.4 31.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.6 mt -114.82 113.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.495 ' CG1' HD21 ' A' ' 38' ' ' LEU . 69.6 t -91.39 130.97 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.35 172.0 13.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.472 ' CG2' HD22 ' A' ' 43' ' ' LEU . 74.0 t -100.61 132.17 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.72 117.4 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.047 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.08 86.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.58 74.42 2.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -135.6 128.25 30.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 110.058 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.6 119.18 18.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.81 -139.68 2.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.13 65.91 0.4 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.409 ' N ' HG22 ' A' ' 24' ' ' VAL . 0.9 OUTLIER -154.6 172.45 17.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 110.417 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 t -142.05 147.76 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 28.4 mttt -96.94 131.14 44.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.465 HG13 ' CD1' ' A' ' 34' ' ' LEU . 24.7 t -116.11 121.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -94.95 112.33 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 mt -85.69 162.66 46.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -6.75 18.43 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.567 ' CB ' ' CZ ' ' A' ' 41' ' ' ARG . 1.3 t-20 -91.39 39.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 43.1 28.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 16' ' ' ASN . 2.9 mt-30 -122.33 168.7 11.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.89 151.37 42.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 t -140.97 135.06 30.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.88 131.85 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.5 t -122.3 162.89 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.9 m -86.88 141.44 28.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 9' ' ' THR . 1.8 t -87.95 110.09 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.401 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 19.9 mtp85 -110.83 153.13 25.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -108.23 69.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -179.85 -59.99 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.471 ' HG2' ' CG2' ' A' ' 67' ' ' ILE . 11.8 ptm -56.22 165.03 1.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 0.753 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.8 p -101.89 -173.76 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -76.93 -34.22 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 38.4 t80 -64.24 -57.02 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.1 -16.83 48.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.01 -62.16 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 12' ' ' VAL . 3.9 mm? -69.36 -10.26 57.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.6 t70 -44.18 -70.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 38' ' ' LEU . 8.2 mmmm -55.4 -49.73 71.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.491 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -40.12 -30.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' N ' ' C ' ' A' ' 36' ' ' LYS . 37.3 mt -90.39 -59.38 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' VAL . 28.3 mmtt -43.67 -48.28 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.3 p -39.85 -31.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CZ ' ' CB ' ' A' ' 16' ' ' ASN . 3.3 mtt-85 -108.74 -30.58 8.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.2 5.01 23.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 79' ' ' VAL . 21.3 mt -60.58 -177.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -152.01 157.32 41.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.401 ' NE2' ' HA ' ' A' ' 35' ' ' ASP . 23.9 mp0 -88.28 41.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.67 -43.88 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.1 t -119.71 38.37 3.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 95.4 m -141.04 152.21 44.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.509 HG22 ' CE1' ' A' ' 51' ' ' TYR . 3.5 p -137.33 155.53 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.58 HG23 ' CH2' ' A' ' 63' ' ' TRP . 42.2 t -122.61 126.45 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CE1' HG22 ' A' ' 49' ' ' VAL . 4.5 m-85 -107.24 142.85 36.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 10.6 mtm180 -102.07 152.23 21.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.32 103.03 15.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.3 mp -127.7 108.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? 57.16 24.18 9.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.73 46.72 7.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -143.74 125.63 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 97.11 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.425 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -97.87 104.99 17.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.436 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -40.32 151.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.404 ' CG2' ' HB ' ' A' ' 50' ' ' VAL . 1.1 t -130.95 161.01 32.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.84 161.9 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.58 ' CH2' HG23 ' A' ' 50' ' ' VAL . 92.8 m95 -88.72 -41.9 12.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -63.03 -32.48 73.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.9 m -45.03 165.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.55 162.14 13.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.471 ' CG2' ' HG2' ' A' ' 28' ' ' MET . 0.8 OUTLIER -104.51 -1.68 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.477 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -60.63 -55.14 47.86 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.97 55.33 3.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -145.23 34.06 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 71' ' ' ASP . 4.5 t0 -74.66 118.13 17.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.1 83.38 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -170.26 -170.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 110.344 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 4.6 mt-10 -153.85 133.66 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 9.9 mt -112.08 149.78 31.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 89.1 mt -116.07 114.33 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.444 HG23 ' CD1' ' A' ' 34' ' ' LEU . 58.2 t -96.06 116.92 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.461 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -124.72 172.13 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.466 ' CG2' HD22 ' A' ' 43' ' ' LEU . 95.7 t -101.02 129.39 52.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.88 112.55 2.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.4 t -166.03 156.29 12.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.062 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 133.44 156.25 7.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 96.15 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.86 -57.36 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.05 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.06 108.61 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.93 166.25 32.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.944 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -40.15 153.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.963 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.42 -179.28 6.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 t -172.87 -54.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m 60.11 97.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.05 73.2 1.16 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.5 56.32 0.5 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.9 p -148.86 178.97 8.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 11' ' ' LYS . 39.2 t -145.08 146.4 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' N ' HG12 ' A' ' 10' ' ' VAL . 6.1 mttt -92.68 131.05 38.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' CG1' HD11 ' A' ' 34' ' ' LEU . 76.7 t -116.01 120.92 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -90.5 111.17 22.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 mt -83.64 164.75 43.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.67 20.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.524 ' ND2' ' CZ ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -89.65 42.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt 40.1 29.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' ASN . 3.6 mt-30 -123.38 169.56 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 150.36 43.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.248 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -139.77 131.27 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.429 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -90.22 120.82 39.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.59 160.33 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 53.9 m -87.27 140.7 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 t -83.0 109.3 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 2.1 mtt180 -106.6 155.52 19.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -116.36 84.94 2.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.49 -66.18 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.469 ' HG3' ' CG2' ' A' ' 67' ' ' ILE . 8.3 ptm -58.3 176.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -111.58 176.08 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.73 -38.28 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.64 ' CD2' ' OE1' ' A' ' 45' ' ' GLN . 11.1 t80 -60.24 -56.23 24.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.15 -23.91 66.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.02 -62.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.414 HD11 ' CG1' ' A' ' 12' ' ' VAL . 3.6 mm? -68.42 -11.83 60.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' TYR . 6.4 t70 -45.14 -60.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -63.06 -55.43 25.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.494 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -39.33 -33.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.469 HD21 ' CG1' ' A' ' 77' ' ' VAL . 54.2 mt -90.98 -58.95 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -39.57 -49.22 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.4 p -39.12 -44.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.524 ' CZ ' ' ND2' ' A' ' 16' ' ' ASN . 4.5 mtt-85 -96.46 -26.98 15.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.51 16.42 22.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.442 1.089 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' CB ' HD22 ' A' ' 38' ' ' LEU . 18.7 mt -65.66 126.14 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.795 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.4 134.69 36.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.64 ' OE1' ' CD2' ' A' ' 31' ' ' TYR . 14.4 mt-30 -77.48 56.59 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -155.31 -45.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.2 m -92.53 16.35 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 53.4 m -133.86 147.34 51.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.33 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.458 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.7 p -128.57 160.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 40.9 t -126.17 129.3 72.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.8 m-85 -109.52 140.2 43.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.497 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 10.0 mtm-85 -95.6 138.86 32.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.41 ' N ' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -85.53 100.2 11.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.497 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -122.73 93.41 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.04 39.46 13.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.95 50.35 47.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -146.84 106.86 3.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.45 103.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.47 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.3 m -104.02 101.68 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' THR . 99.3 t -39.5 135.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.23 159.56 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.84 135.95 40.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.604 ' CE3' ' OE1' ' A' ' 45' ' ' GLN . 95.0 m95 -59.75 -43.33 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 108.003 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' THR . 22.7 m-20 -54.29 -39.6 67.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 64' ' ' ASP . 8.0 m -38.51 155.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.62 178.22 7.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.469 ' CG2' ' HG3' ' A' ' 28' ' ' MET . 2.4 tp -120.07 9.67 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.495 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -77.97 -56.1 1.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.06 55.17 3.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -137.8 32.88 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -78.79 125.25 29.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.088 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.86 78.6 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 2.4 pp20? -161.84 -176.3 5.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 2.4 mt-10 -151.8 115.04 4.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 52' ' ' ARG . 10.3 mt -97.15 150.47 20.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.6 mt -117.88 111.94 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.469 ' CG1' HD21 ' A' ' 38' ' ' LEU . 43.8 t -94.2 110.25 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.4 mt-10 -110.97 161.4 15.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 p -109.46 124.36 66.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.03 -59.11 4.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t 70.85 -61.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 171.27 173.08 38.02 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 72.68 4.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m 60.64 82.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.81 115.65 25.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 110.05 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.426 1.078 . . . . 0.0 111.008 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.05 -58.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.84 125.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.44 -163.48 13.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.08 87.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 0.773 . . . . 0.0 110.047 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.39 170.23 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.45 -118.83 1.61 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.67 57.58 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.8 p -152.09 175.79 12.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.406 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 11' ' ' LYS . 53.1 t -140.6 152.64 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' HG11 ' A' ' 10' ' ' VAL . 9.1 ttmt -91.99 127.91 37.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 HG11 ' CD1' ' A' ' 34' ' ' LEU . 25.3 t -114.5 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -89.7 110.78 21.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.7 mt -82.72 164.14 48.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -8.04 19.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -91.16 40.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 42.05 28.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 16' ' ' ASN . 2.2 mt-30 -121.89 170.58 9.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.96 151.05 43.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 t -141.44 136.71 31.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 t -87.21 124.43 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.6 t -111.17 156.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.3 m -89.53 138.29 31.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 t -88.55 110.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -96.8 -29.97 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 60.51 115.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.349 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.64 -61.26 0.58 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.453 ' CG ' HG23 ' A' ' 67' ' ' ILE . 20.8 ptm -55.92 165.74 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -76.46 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.436 ' CG1' HD23 ' A' ' 34' ' ' LEU . 58.2 t -83.19 -26.85 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 21.8 t80 -61.3 -59.42 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -61.26 -25.14 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.78 -62.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' CD1' HG11 ' A' ' 12' ' ' VAL . 4.2 mm? -70.28 -9.78 57.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.5 t70 -46.65 -71.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.75 -52.7 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.499 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -41.96 -30.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.435 HD21 ' CG1' ' A' ' 77' ' ' VAL . 49.1 mt -91.88 -55.82 3.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.0 mmmt -43.42 -47.65 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.3 p -39.07 -34.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.404 ' NE ' ' HB2' ' A' ' 16' ' ' ASN . 1.9 mtt85 -107.72 -27.36 10.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.67 9.24 33.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.421 1.075 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.3 mt -57.94 159.14 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -108.0 156.85 18.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -94.74 40.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.94 -47.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.1 m -95.58 27.13 3.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 86.5 m -141.07 149.15 41.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 108.266 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.524 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.6 p -133.73 163.54 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.562 HG22 ' CH2' ' A' ' 63' ' ' TRP . 40.2 t -128.73 124.84 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.2 m-85 -105.88 142.57 35.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.47 ' HG2' ' CD2' ' A' ' 75' ' ' LEU . 18.9 mtm180 -120.43 137.3 54.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 100.28 9.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.468 HD11 ' CG2' ' A' ' 59' ' ' THR . 1.1 mp -100.73 -66.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.86 49.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.25 21.02 71.81 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -132.81 140.25 47.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.99 98.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.468 ' CG2' HD11 ' A' ' 54' ' ' ILE . 11.8 m -95.64 100.04 11.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.2 t -47.46 159.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.1 t -133.16 159.09 41.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.17 147.92 23.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.562 ' CH2' HG22 ' A' ' 50' ' ' VAL . 89.2 m95 -73.87 -24.3 59.72 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -78.85 -35.69 43.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.5 m -40.47 161.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.12 158.96 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.453 HG23 ' CG ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -97.84 18.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.485 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -78.71 -55.75 0.98 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.485 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 55.06 3.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.495 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.6 mm? -137.66 -43.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' A' ' 70' ' ' LEU . 15.3 t70 -32.69 110.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.84 57.32 1.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.478 ' OE2' ' CD1' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -161.87 -167.86 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.777 . . . . 0.0 110.277 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.9 mt-10 -148.23 120.16 8.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.478 ' CD1' ' OE2' ' A' ' 73' ' ' GLU . 1.2 mp -102.87 147.07 27.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 92.0 mt -118.3 111.09 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.435 ' CG1' HD21 ' A' ' 38' ' ' LEU . 57.2 t -91.87 113.8 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.7 mt-10 -115.27 161.54 18.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 p -110.57 121.9 64.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.84 122.08 13.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.85 102.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.52 155.09 8.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.25 25.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.2 p -124.32 157.79 34.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.06 -58.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 52.13 87.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -141.48 158.2 44.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.008 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.49 151.8 20.0 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -46.2 122.27 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.728 . . . . 0.0 110.002 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t 178.95 97.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 110.003 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.76 -73.23 0.64 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.34 58.56 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.3 p -150.23 173.71 13.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.421 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.424 HG22 ' CG2' ' A' ' 24' ' ' VAL . 89.3 t -138.4 141.45 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' N ' HG12 ' A' ' 10' ' ' VAL . 24.4 mttt -85.36 125.53 33.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 34' ' ' LEU . 25.3 t -111.33 113.11 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -83.7 114.03 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mt -87.71 158.72 50.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 70.69 5.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.5 t-20 174.72 51.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER 38.5 31.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 16' ' ' ASN . 6.2 mt-30 -118.7 158.99 24.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -145.3 150.83 37.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -141.11 129.1 21.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t -84.11 128.84 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.52 156.57 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.4 m -83.54 143.52 30.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.424 ' CG2' HG22 ' A' ' 10' ' ' VAL . 1.9 t -92.45 109.55 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -114.18 111.17 21.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -71.7 64.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.17 -52.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.474 ' HG2' ' CG2' ' A' ' 67' ' ' ILE . 14.6 ptm -67.1 164.95 16.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 0.725 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -97.86 177.68 5.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -72.98 -43.2 59.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' ASP . 55.2 t80 -55.25 -55.74 27.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -60.05 -23.4 63.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.11 -62.39 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.444 ' CD1' HG13 ' A' ' 12' ' ' VAL . 3.4 mm? -67.09 -10.97 55.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' TYR . 9.1 t0 -49.18 -52.08 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -74.28 -50.58 18.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.477 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -39.68 -30.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.472 HD21 ' CG1' ' A' ' 77' ' ' VAL . 60.0 mt -90.95 -57.76 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -40.73 -51.3 3.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 5.3 p -38.61 -42.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' LEU . 2.9 mtt-85 -96.13 -25.01 16.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 103.51 9.33 38.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.457 HD23 ' CG2' ' A' ' 79' ' ' VAL . 25.8 mt -67.17 160.95 25.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -121.07 163.27 18.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -95.01 41.39 1.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.91 -52.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 t -105.94 37.2 2.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 92.7 m -140.55 160.33 40.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 108.343 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.509 HG12 ' CZ ' ' A' ' 51' ' ' TYR . 3.6 p -150.08 152.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 27.4 t -120.21 126.11 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.2 m-85 -104.99 143.47 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.495 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 6.3 mtm180 -102.64 140.94 36.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -83.46 105.42 14.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -126.53 94.31 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.3 37.32 11.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.13 51.92 30.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -150.98 110.29 3.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.35 110.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.477 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.1 m -111.63 97.58 6.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 65.3 t -39.49 149.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.97 163.74 22.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.19 162.63 14.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 90.6 m95 -91.74 -20.47 21.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.06 21.21 8.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.9 m -96.46 159.26 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.54 154.07 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.474 ' CG2' ' HG2' ' A' ' 28' ' ' MET . 0.6 OUTLIER -101.74 16.85 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.493 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -77.13 -55.83 1.33 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -74.94 55.18 3.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -141.24 36.73 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.47 99.44 8.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.52 86.81 0.97 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -170.04 -167.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -152.41 119.9 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 46.3 mt -97.34 137.52 36.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.1 mt -114.13 109.84 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.472 ' CG1' HD21 ' A' ' 38' ' ' LEU . 62.1 t -93.0 110.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 20.6 mt-10 -125.02 150.04 47.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.457 ' CG2' HD23 ' A' ' 43' ' ' LEU . 37.5 t -77.72 139.92 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.5 mt -73.44 137.03 44.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m 61.98 138.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.954 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.34 96.22 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -47.36 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.88 152.33 37.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.46 98.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -62.63 -58.38 7.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 0.773 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -53.23 130.53 34.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.033 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.47 -134.6 1.71 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 t 62.98 136.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 0.737 . . . . 0.0 109.955 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.7 p -70.67 102.17 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.15 157.77 28.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.76 63.59 1.98 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.6 p -153.43 169.46 23.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.413 HG12 ' N ' ' A' ' 11' ' ' LYS . 71.0 t -136.86 139.19 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' N ' HG12 ' A' ' 10' ' ' VAL . 25.1 mttt -85.26 125.98 33.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.452 ' CG1' HD12 ' A' ' 34' ' ' LEU . 56.9 t -112.46 110.86 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -78.39 117.16 19.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 mt -89.22 160.38 42.87 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 70.39 5.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 18' ' ' GLN . 2.3 t30 174.04 51.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 38.61 31.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' ASN . 3.6 mt-30 -118.07 163.81 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.91 150.3 32.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -138.96 126.74 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.384 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 t -83.98 124.53 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 t -117.51 151.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.8 m -72.93 151.5 41.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -98.59 109.79 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.68 -157.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -146.73 -48.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.23 58.05 2.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.468 ' CE ' ' OG ' ' A' ' 33' ' ' SER . 19.3 ptm -177.3 158.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 0.724 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 p -99.98 -176.72 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.951 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 72.6 t -74.15 -33.59 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 17.3 t80 -59.66 -59.27 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.04 -22.75 66.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.468 ' OG ' ' CE ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -78.89 -62.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.452 HD12 ' CG1' ' A' ' 12' ' ' VAL . 3.8 mm? -68.3 -14.57 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 6.0 t0 -41.98 -57.3 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -63.03 -58.46 7.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.421 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -39.39 -30.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.467 HD21 ' CG1' ' A' ' 77' ' ' VAL . 25.3 mt -89.08 -63.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' GLY . 13.4 mttt -39.53 -52.5 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.421 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.5 p -39.2 -48.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 16' ' ' ASN . 25.1 mtp180 -87.84 -24.61 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 99.96 12.53 39.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.1 mt -68.27 167.61 14.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.795 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.523 ' ND2' ' H ' ' A' ' 45' ' ' GLN . 2.9 t30 -117.59 172.63 7.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.523 ' H ' ' ND2' ' A' ' 44' ' ' ASN . 15.2 mp0 -103.72 42.58 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.76 -46.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.2 m -93.33 21.98 5.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.282 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 82.2 m -141.12 157.31 45.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 108.301 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.532 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 3.4 p -141.38 160.56 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.564 HG22 ' CH2' ' A' ' 63' ' ' TRP . 21.4 t -128.04 124.07 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.4 m-85 -105.12 142.63 34.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.451 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 42.2 mtp180 -109.89 133.2 53.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.32 105.13 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 59' ' ' THR . 1.7 mp -123.61 101.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 54' ' ' ILE . 0.0 OUTLIER 82.78 -53.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.15 40.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -149.67 143.95 25.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 0.754 . . . . 0.0 110.353 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -71.14 110.12 5.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.478 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 15.9 m -105.53 95.54 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.6 t -43.01 148.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 t -124.09 156.07 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.412 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.461 ' CB ' ' OG1' ' A' ' 65' ' ' THR . . . -88.45 145.61 25.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.564 ' CH2' HG22 ' A' ' 50' ' ' VAL . 84.4 m95 -71.06 -19.81 62.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.03 29.04 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.461 ' OG1' ' CB ' ' A' ' 62' ' ' ALA . 1.9 m -102.59 151.27 22.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.65 160.56 29.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.461 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 0.9 OUTLIER -113.29 22.9 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.545 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -79.84 -58.67 0.6 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.545 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.02 51.23 2.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.523 ' CD2' ' C ' ' A' ' 69' ' ' PRO . 2.2 mm? -141.89 30.13 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -75.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.51 96.55 1.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.492 ' OE2' ' CD1' ' A' ' 75' ' ' LEU . 1.7 pp20? -169.71 -173.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 5.1 mt-10 -147.33 113.66 5.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.492 ' CD1' ' OE2' ' A' ' 73' ' ' GLU . 1.1 mt -91.67 143.16 26.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 61.4 mt -117.35 113.01 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.467 ' CG1' HD21 ' A' ' 38' ' ' LEU . 49.3 t -93.62 113.44 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.8 mt-10 -115.05 161.43 18.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 p -111.53 119.31 59.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.1 mt -58.16 103.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.33 168.74 4.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.98 151.88 6.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 84' ' ' SER . 18.2 Cg_endo -75.04 69.77 5.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.7 OUTLIER 161.08 152.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.976 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.18 165.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -63.2 120.11 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -137.36 -58.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.022 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.28 -65.96 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.41 -59.07 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 0.752 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 m 61.63 169.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.24 175.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.75 61.46 4.51 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.7 p -152.07 171.72 17.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.407 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 11' ' ' LYS . 93.3 t -138.13 143.47 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' N ' HG12 ' A' ' 10' ' ' VAL . 7.7 mtmt -84.5 126.22 33.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.474 HG11 ' CD1' ' A' ' 34' ' ' LEU . 55.2 t -115.3 112.46 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -82.57 115.5 21.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.955 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 mt -86.15 164.62 37.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -5.23 16.54 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.787 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.497 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -92.42 34.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 37.0 pttt 49.17 23.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -117.56 177.34 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 151.31 38.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -140.36 132.82 28.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.431 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 t -87.19 123.41 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 83.8 t -110.62 160.64 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.7 m -82.07 148.05 28.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 71' ' ' ASP . 4.2 t -98.83 109.77 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 11.6 mtp180 -115.92 158.99 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -115.56 82.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.47 -64.96 0.19 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.516 ' CG ' ' CG2' ' A' ' 67' ' ' ILE . 15.1 ptm -52.06 169.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.0 p -101.89 -172.43 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.6 t -80.42 -31.56 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASP . 15.2 t80 -64.49 -57.11 10.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.6 -19.6 62.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.14 -62.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.474 ' CD1' HG11 ' A' ' 12' ' ' VAL . 4.1 mm? -70.57 -7.97 47.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.1 t70 -46.62 -73.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.6 -50.19 63.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.489 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -39.9 -30.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.424 ' N ' ' C ' ' A' ' 36' ' ' LYS . 36.4 mt -91.49 -57.66 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 40' ' ' VAL . 21.5 mmmt -42.36 -48.28 5.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.2 p -38.95 -35.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.417 ' NE ' ' HB2' ' A' ' 16' ' ' ASN . 3.4 mtt85 -106.24 -28.07 10.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.46 10.47 29.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.82 167.53 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.445 ' ND2' ' N ' ' A' ' 45' ' ' GLN . 1.8 t30 -114.29 163.75 14.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.445 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 7.4 mp0 -101.06 41.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -146.37 -46.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 56.1 m -92.62 22.08 4.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.331 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 62.7 m -140.94 146.09 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.524 HG11 ' CZ ' ' A' ' 51' ' ' TYR . 6.3 p -130.15 163.63 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 47.7 t -128.58 124.48 61.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 5.1 m-85 -103.59 142.02 35.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 24.1 mtm180 -117.26 145.06 44.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.58 95.67 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.5 mp -92.79 -70.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.05 51.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.56 31.18 77.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.25 140.85 28.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HE3' ' CD1' ' A' ' 76' ' ' ILE . 4.2 mttp -62.72 110.05 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.475 ' CG2' HD13 ' A' ' 54' ' ' ILE . 2.1 m -108.85 104.7 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 72.7 t -47.7 152.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.29 159.75 35.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.453 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.62 158.68 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -83.76 -27.14 29.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 107.993 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -31.91 59.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.4 m -42.7 162.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.409 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.35 163.49 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.516 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 0.8 OUTLIER -103.34 12.39 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.507 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -79.66 -56.96 0.73 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.507 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.1 Cg_endo -75.0 53.4 3.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 71' ' ' ASP . 0.8 OUTLIER -140.36 -43.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.534 ' C ' ' O ' ' A' ' 70' ' ' LEU . 25.7 t70 -29.4 128.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.86 56.38 3.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.5 ' OE2' ' CD1' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -160.68 -165.77 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 0.792 . . . . 0.0 110.335 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 14.8 mt-10 -147.99 113.17 5.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.5 ' CD1' ' OE2' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -96.51 144.14 26.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.426 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 84.8 mt -117.39 109.52 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.428 ' CG2' HD13 ' A' ' 34' ' ' LEU . 48.1 t -91.7 112.69 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -115.97 161.08 19.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 p -108.18 124.33 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.87 -63.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.99 115.89 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.01 145.16 37.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.27 140.88 17.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 t -172.85 100.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.75 157.01 16.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.767 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.99 -58.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.87 -163.3 11.4 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 p -131.06 87.72 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -157.05 139.63 14.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.68 -64.35 4.31 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.65 64.22 0.85 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 p -148.11 178.67 8.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.399 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.6 t -139.61 150.54 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.547 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -96.41 129.07 43.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' A' ' 34' ' ' LEU . 75.4 t -118.08 142.93 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -114.92 118.19 32.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.8 mt -89.41 157.44 47.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 54.13 3.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -155.42 24.25 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 mttp 64.48 11.94 6.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -107.32 166.21 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.57 154.43 42.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.2 t -137.72 141.18 41.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 t -93.51 123.78 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.8 t -110.03 168.44 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.0 m -97.33 143.35 28.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 t -92.76 110.28 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 23.6 mtp180 -121.21 126.49 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.99 78.17 9.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.86 -60.08 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.483 ' CG ' ' CG2' ' A' ' 67' ' ' ILE . 15.9 ptm -62.65 174.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.744 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.7 p -107.53 -175.49 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.0 t -78.21 -32.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' ASP . 48.2 t80 -62.24 -58.8 6.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.84 -22.36 65.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.19 -62.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.449 ' CD1' HG13 ' A' ' 12' ' ' VAL . 4.0 mm? -67.78 -17.99 64.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.3 t0 -39.28 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -50.5 52.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.496 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -43.2 -29.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.473 HD22 ' CG1' ' A' ' 77' ' ' VAL . 59.0 mt -90.27 -60.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 7.2 mmmm -39.96 -50.66 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 5.2 p -39.4 -45.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' LEU . 21.0 mtp85 -91.76 -30.87 16.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.02 10.27 22.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.2 mt -67.41 175.34 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -135.45 163.58 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -98.11 38.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -125.35 -52.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -106.86 42.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.336 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 90.3 m -141.13 163.43 32.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 108.282 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.529 HG12 ' CE1' ' A' ' 51' ' ' TYR . 3.2 p -149.31 152.86 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.529 HG22 ' CH2' ' A' ' 63' ' ' TRP . 42.7 t -121.36 124.75 72.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 2.8 m-85 -103.68 138.46 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.486 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 46.7 mtm180 -116.31 138.95 50.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.41 ' N ' HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -84.4 96.28 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.7 mp -95.2 -64.55 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -121.08 35.25 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.75 11.8 78.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -122.12 138.73 54.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -62.11 98.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.47 ' CG2' HD12 ' A' ' 54' ' ' ILE . 1.5 m -94.1 104.23 16.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.8 t -54.18 142.28 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.417 ' HB ' ' CD ' ' A' ' 52' ' ' ARG . 1.2 t -117.99 161.37 19.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.442 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.32 162.34 17.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.529 ' CH2' HG22 ' A' ' 50' ' ' VAL . 92.2 m95 -91.54 -25.95 18.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.48 -28.93 37.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' A' ' 66' ' ' ALA . 16.8 m -45.76 171.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.426 ' N ' ' CG2' ' A' ' 65' ' ' THR . . . -100.33 164.58 11.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.483 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 1.2 tp -106.42 10.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.473 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -77.61 -55.2 1.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 58.13 4.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -142.46 21.49 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.66 113.95 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.67 94.07 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 2.2 pp20? -175.65 -164.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 0.781 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.547 ' OE2' ' CB ' ' A' ' 11' ' ' LYS . 8.6 mm-40 -151.29 134.37 15.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.478 ' CD2' ' HG2' ' A' ' 52' ' ' ARG . 1.7 mt -115.73 131.22 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.4 mt -113.97 112.04 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.473 ' CG1' HD22 ' A' ' 38' ' ' LEU . 95.7 t -89.78 131.73 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -142.89 171.83 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.4 t -97.05 131.84 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.8 mt -65.38 93.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.86 -56.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.047 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.04 97.25 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.13 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.59 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.61 130.12 39.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.08 168.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -174.37 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 m -98.36 154.89 17.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.63 142.31 3.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.63 -56.86 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.965 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -173.71 -56.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.05 112.0 1.14 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.36 65.44 4.0 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 p -153.54 174.58 14.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 0.0 110.352 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.99 145.17 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -92.91 128.74 38.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 34' ' ' LEU . 25.5 t -115.24 114.37 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -87.44 115.49 24.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mt -89.75 158.27 45.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.47 3.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.416 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER 171.96 42.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mttt 46.18 25.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 16' ' ' ASN . 5.8 mt-30 -112.95 158.43 20.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.5 151.87 38.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -140.36 134.02 30.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 t -88.5 134.61 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.7 t -126.78 166.82 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.0 m -87.48 148.79 24.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.382 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 71' ' ' ASP . 2.8 t -92.28 109.97 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 9.4 mtt85 -114.94 -169.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.3 -49.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.1 -73.31 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.48 ' CG ' ' CG2' ' A' ' 67' ' ' ILE . 11.7 ptm -42.3 165.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.1 m -110.89 -174.9 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.3 t -67.43 -45.6 85.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ASP . 7.0 t80 -59.0 -51.27 70.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.05 -30.23 70.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -54.84 6.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' A' ' 12' ' ' VAL . 4.2 mm? -83.27 10.88 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' TYR . 8.9 t0 -64.58 -53.79 42.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -70.97 -49.68 42.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -39.96 -34.5 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.484 HD23 ' CG1' ' A' ' 77' ' ' VAL . 45.7 mt -89.91 -64.49 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.6 mttp -39.57 -55.09 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' LYS . 7.5 p -39.44 -44.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 41' ' ' ARG . 8.1 mtp-105 -87.21 -30.4 21.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 106.04 11.34 28.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD1' HD21 ' A' ' 38' ' ' LEU . 24.3 mt -66.0 -177.9 0.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.408 HD21 ' N ' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -136.85 152.33 50.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.408 ' N ' HD21 ' A' ' 44' ' ' ASN . 15.4 mp0 -87.97 42.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.97 -49.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.6 m -95.15 27.45 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 90.7 m -140.4 166.72 23.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.298 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.521 HG12 ' CZ ' ' A' ' 51' ' ' TYR . 5.7 p -149.94 157.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.571 HG22 ' CH2' ' A' ' 63' ' ' TRP . 21.2 t -125.15 132.63 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.548 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 2.7 m-85 -112.55 136.37 52.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 9.7 mtm180 -104.14 137.93 41.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.72 92.02 8.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.5 mp -99.22 -70.21 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.96 50.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.37 23.61 62.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -131.28 130.21 42.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.36 104.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.481 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 2.0 m -98.21 97.99 9.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -49.01 125.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.45 ' HB ' ' CG ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -106.92 142.73 36.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.431 ' CB ' ' OG1' ' A' ' 65' ' ' THR . . . -75.47 158.16 33.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.571 ' CH2' HG22 ' A' ' 50' ' ' VAL . 86.2 m95 -81.29 -52.07 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -50.73 -30.92 15.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.431 ' OG1' ' CB ' ' A' ' 62' ' ' ALA . 15.5 m -47.67 158.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.47 165.88 12.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.48 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 1.6 tp -100.73 -0.41 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.464 ' N ' ' CD ' ' A' ' 69' ' ' PRO . . . -68.29 -54.76 14.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.464 ' CD ' ' N ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.96 55.59 3.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.424 ' CD2' HD13 ' A' ' 67' ' ' ILE . 0.1 OUTLIER 176.46 125.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.43 ' HB2' ' CG1' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -154.4 -60.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' N ' ' OE2' ' A' ' 73' ' ' GLU . . . -80.44 67.16 3.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' OE2' ' N ' ' A' ' 72' ' ' GLY . 0.9 OUTLIER -160.31 -173.83 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -140.8 117.63 11.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.285 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.492 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 1.9 mt -90.25 137.92 31.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 79.4 mt -115.93 113.05 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.484 ' CG1' HD23 ' A' ' 38' ' ' LEU . 95.6 t -91.9 131.74 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -140.3 168.21 20.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.427 ' CG2' HD22 ' A' ' 43' ' ' LEU . 93.2 t -101.78 130.24 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 57.4 mt -55.83 -68.44 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.7 m -58.47 164.85 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 130.64 -162.46 23.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 173.24 14.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.0 m -76.92 135.1 38.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 94.0 p -113.62 102.66 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 p -123.7 115.96 22.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t 72.08 -60.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.06 -75.08 0.29 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t 55.45 98.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 0.0 109.988 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 p -155.2 165.39 36.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.073 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.26 99.94 1.93 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.33 -40.12 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.3 p -151.03 171.35 17.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.487 0.757 . . . . 0.0 110.435 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.0 t -139.22 149.47 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -88.81 127.35 35.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 HG12 ' CD1' ' A' ' 34' ' ' LEU . 39.2 t -114.14 108.4 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -83.04 116.19 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 37' ' ' ALA . 12.1 mt -89.84 158.16 45.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 71.96 4.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.0 38.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt 50.34 22.89 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -111.93 160.87 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.6 150.66 34.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -141.22 132.7 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 t -85.1 124.89 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.87 160.12 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.4 m -83.18 145.0 29.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -82.81 109.54 16.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.508 ' CB ' ' SD ' ' A' ' 28' ' ' MET . 5.2 mmt180 -105.58 159.57 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -136.05 43.46 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.42 41.94 0.24 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.508 ' SD ' ' CB ' ' A' ' 25' ' ' ARG . 14.8 ptm -164.74 159.02 18.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -79.66 177.23 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.9 t -79.07 -32.49 15.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASP . 9.4 t80 -60.68 -53.81 52.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -63.1 -24.42 67.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.27 -61.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.468 HD11 ' CG2' ' A' ' 77' ' ' VAL . 4.1 mm? -72.37 -5.9 39.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.1 t70 -45.68 -63.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -54.86 -54.37 43.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.465 ' O ' ' CD2' ' A' ' 14' ' ' LEU . . . -39.84 -31.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD2' HG12 ' A' ' 77' ' ' VAL . 37.0 mt -90.76 -52.5 4.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -41.36 -49.59 3.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.34 -45.22 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' LEU . 20.2 mtp85 -95.45 17.14 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.27 27.09 3.69 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 HD22 ' CG2' ' A' ' 79' ' ' VAL . 28.1 mt -76.79 -177.84 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 0.74 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -134.78 164.18 28.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.421 ' NE2' ' HA ' ' A' ' 35' ' ' ASP . 14.1 mp0 -100.21 35.52 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -125.69 -49.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.28 35.03 2.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 108.333 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 78.9 m -140.98 147.74 39.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 108.284 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 51' ' ' TYR . 2.4 p -134.68 147.1 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.578 HG22 ' CH2' ' A' ' 63' ' ' TRP . 38.4 t -113.96 126.98 71.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.555 ' CE1' HG12 ' A' ' 49' ' ' VAL . 3.0 m-85 -102.95 138.82 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.494 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 12.0 mtm-85 -98.89 136.41 38.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.476 ' CD2' HD11 ' A' ' 76' ' ' ILE . 1.3 mm? -80.95 102.83 10.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.494 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -125.29 94.78 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 62.83 35.84 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.81 47.04 42.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -144.79 111.17 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 103.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.439 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -103.63 101.78 11.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' THR . 59.5 t -39.16 147.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.417 ' CG2' ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -127.79 164.49 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.411 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.06 157.83 15.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.578 ' CH2' HG22 ' A' ' 50' ' ' VAL . 91.3 m95 -85.92 -41.05 15.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 108.048 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -65.0 -28.92 69.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.7 m -46.71 168.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.397 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.19 169.49 9.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.45 HG22 ' CG ' ' A' ' 28' ' ' MET . 1.1 tp -109.23 18.66 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.502 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -80.29 -56.23 0.72 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.03 56.03 4.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.431 1.753 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.508 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.8 mm? -133.13 -42.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' A' ' 70' ' ' LEU . 15.2 t0 -32.03 115.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.52 56.13 2.32 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -162.82 -169.88 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 7.1 mt-10 -146.49 122.46 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.474 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 57.1 mt -102.61 130.86 49.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.476 HD11 ' CD2' ' A' ' 53' ' ' LEU . 84.1 mt -110.33 113.13 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.468 ' CG2' HD11 ' A' ' 34' ' ' LEU . 61.2 t -88.92 128.65 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.437 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -137.54 167.29 21.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.433 ' CG2' HD22 ' A' ' 43' ' ' LEU . 70.1 t -102.91 130.66 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 mt -58.47 120.14 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.17 -53.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 112.4 155.73 12.63 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 163.6 34.88 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 m -169.52 -60.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.79 106.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.026 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.22 111.8 1.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 0.74 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -126.74 129.84 49.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.7 -146.93 4.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -54.62 -65.06 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.2 p -109.62 140.88 42.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.38 -163.06 38.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.93 51.15 0.08 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.4 p -143.45 179.71 6.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 t -141.34 149.96 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.91 131.82 36.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.8 t -119.14 139.75 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -110.91 114.87 28.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 mt -87.33 156.84 53.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.54 3.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.444 1.76 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.45 ' CG ' ' NH2' ' A' ' 41' ' ' ARG . 1.4 t-20 -156.6 25.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.9 mttt 62.48 13.43 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.34 165.9 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 ptt85 -145.05 156.9 44.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.6 t -139.45 144.61 38.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.3 t -93.13 122.19 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.6 t -109.91 165.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 46.3 m -97.49 140.48 31.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -86.72 109.63 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 4.4 mtp-105 -115.19 149.58 37.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -106.08 74.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.64 -57.83 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.492 ' CE ' ' OG ' ' A' ' 33' ' ' SER . 14.2 ptm -58.1 166.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.7 m -102.51 -169.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -80.17 -35.92 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.602 ' CE2' ' CD ' ' A' ' 45' ' ' GLN . 8.0 t80 -67.46 -53.05 32.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.11 -14.56 38.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.492 ' OG ' ' CE ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -91.87 -60.85 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.471 HD13 ' CG2' ' A' ' 77' ' ' VAL . 4.1 mm? -72.22 -5.35 35.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 5.3 t70 -46.31 -63.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 39' ' ' LYS . 14.7 mmmt -59.4 -53.78 54.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.511 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -41.13 -32.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.498 HD23 ' CG1' ' A' ' 77' ' ' VAL . 21.5 mt -92.03 -54.24 3.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.426 ' HB2' ' HA ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -48.06 -34.82 10.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 14.7 p -59.66 -32.74 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' LEU . 2.9 mtt-85 -109.94 2.62 19.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 65.73 22.98 70.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.442 HD21 ' CG2' ' A' ' 79' ' ' VAL . 31.6 mt -70.71 162.69 28.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -102.7 160.51 14.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 31' ' ' TYR . 2.1 mp0 -97.01 22.46 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -129.56 -43.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.0 m -91.28 20.08 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 108.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.9 m -137.5 147.52 45.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.553 HG21 ' CE1' ' A' ' 51' ' ' TYR . 1.5 p -132.9 159.41 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.574 HG22 ' CH2' ' A' ' 63' ' ' TRP . 40.9 t -126.09 122.63 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.553 ' CE1' HG21 ' A' ' 49' ' ' VAL . 3.5 m-85 -101.09 139.7 36.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 17.6 mtp180 -102.97 133.78 47.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' N ' HD21 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -77.24 103.19 7.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.476 ' CD1' ' HB ' ' A' ' 59' ' ' THR . 1.9 mp -126.41 93.49 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.61 23.96 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.32 36.46 23.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.539 1.149 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -135.22 112.76 10.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.253 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 105.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.476 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 24.2 m -105.75 99.67 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.433 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -39.58 153.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.91 151.02 49.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.77 162.11 25.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.574 ' CH2' HG22 ' A' ' 50' ' ' VAL . 95.9 m95 -89.48 -37.45 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 108.029 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.58 -32.48 72.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' A' ' 66' ' ' ALA . 17.1 m -46.05 171.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.426 ' N ' ' CG2' ' A' ' 65' ' ' THR . . . -100.39 163.54 12.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.49 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 0.9 OUTLIER -104.21 10.08 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.48 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -69.85 -55.26 8.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.02 54.78 3.75 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.574 1.829 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -144.12 24.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.52 123.11 22.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.67 76.77 0.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 2.8 pp20? -165.34 -167.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 4.4 mt-10 -150.01 117.02 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.363 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.484 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 4.4 mt -95.82 137.84 34.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 65.0 mt -113.9 114.36 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.498 ' CG1' HD23 ' A' ' 38' ' ' LEU . 58.8 t -92.42 125.01 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.514 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -133.03 169.75 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.442 ' CG2' HD21 ' A' ' 43' ' ' LEU . 43.6 t -104.79 133.72 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.5 mt -59.76 111.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.9 t -151.64 145.69 25.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.987 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.82 143.34 5.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 71.19 5.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.19 89.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.62 167.1 27.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 4' ' ' GLY . 4.0 t 49.14 96.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.005 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t 61.6 -81.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 93.06 137.86 8.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m 57.09 92.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.934 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -153.09 110.17 3.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.06 -142.39 17.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.78 64.9 0.31 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.7 p -153.51 171.96 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 0.795 . . . . 0.0 110.4 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.443 HG22 ' CG2' ' A' ' 24' ' ' VAL . 54.1 t -136.24 146.07 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -92.07 130.63 37.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.454 ' CG1' HD12 ' A' ' 34' ' ' LEU . 65.2 t -120.45 120.89 64.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -87.54 117.01 26.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.9 mt -89.14 159.56 44.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.54 4.29 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.407 ' C ' ' N ' ' A' ' 18' ' ' GLN . 1.9 t-20 173.85 40.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt 47.77 24.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' N ' ' C ' ' A' ' 16' ' ' ASN . 9.7 mt-30 -111.87 162.53 15.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.68 153.68 41.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 t -141.39 136.91 31.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.8 t -92.76 126.1 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.8 t -115.16 162.26 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.2 m -89.37 133.38 34.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.443 ' CG2' HG22 ' A' ' 10' ' ' VAL . 1.8 t -83.18 109.8 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.92 174.38 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -134.16 49.16 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.35 44.25 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.447 ' CG ' HG22 ' A' ' 67' ' ' ILE . 15.5 ptm -169.09 163.12 11.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.0 p -92.98 -177.79 4.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.1 t -78.15 -28.85 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ASP . 32.2 t80 -62.85 -56.79 14.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -62.57 -27.0 68.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.408 ' CB ' HD11 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -75.53 -62.49 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.035 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.454 HD12 ' CG1' ' A' ' 12' ' ' VAL . 4.0 mm? -68.21 -13.73 62.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.1 t70 -41.36 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 1.4 ptmt -50.85 -44.47 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.02 -29.97 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.465 HD21 ' CG1' ' A' ' 77' ' ' VAL . 40.7 mt -91.58 -57.27 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 7.5 mmmm -44.59 -52.01 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' LYS . 14.1 p -38.08 -47.37 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -87.9 -32.32 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.0 10.88 20.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.475 HD22 ' CG2' ' A' ' 79' ' ' VAL . 26.1 mt -67.85 178.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -131.77 159.72 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' A' ' 35' ' ' ASP . 3.1 mp0 -94.42 41.69 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -140.24 -47.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.366 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 57.8 m -101.83 32.85 3.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 93.0 m -141.35 151.4 43.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 108.316 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.547 HG21 ' CE1' ' A' ' 51' ' ' TYR . 2.4 p -137.73 148.84 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.469 ' CG2' ' CH2' ' A' ' 63' ' ' TRP . 24.6 t -117.39 125.05 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.547 ' CE1' HG21 ' A' ' 49' ' ' VAL . 5.4 m-85 -104.22 140.28 38.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.523 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 6.9 mtm105 -105.51 134.44 48.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.66 103.73 11.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.523 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.7 mp -123.53 107.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.54 -55.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.35 40.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.02 153.28 37.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.76 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -78.32 113.03 15.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.422 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -106.42 102.47 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 61' ' ' THR . 66.5 t -47.41 137.8 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.406 ' N ' HG13 ' A' ' 60' ' ' VAL . 1.3 t -113.11 163.46 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.46 136.96 40.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.469 ' CH2' ' CG2' ' A' ' 50' ' ' VAL . 89.7 m95 -63.98 -26.41 68.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 108.015 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -72.76 -39.07 67.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.9 m -39.52 159.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 110.44 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.47 176.51 7.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.447 HG22 ' CG ' ' A' ' 28' ' ' MET . 1.8 tp -117.36 2.87 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.482 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -76.95 -55.48 1.43 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.99 54.96 3.79 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.422 ' CD2' ' O ' ' A' ' 69' ' ' PRO . 2.1 mm? -148.72 26.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.85 128.3 35.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.2 71.87 0.86 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 3.0 pp20? -163.17 -173.55 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 2.8 mt-10 -149.36 130.73 14.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 4.7 mt -112.32 152.31 28.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.0 mt -119.0 113.65 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.465 ' CG1' HD21 ' A' ' 38' ' ' LEU . 60.2 t -94.37 123.46 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.424 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -134.14 172.32 13.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.475 ' CG2' HD22 ' A' ' 43' ' ' LEU . 91.0 t -99.17 132.43 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.3 mt -58.04 -67.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -79.25 82.6 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.07 176.71 24.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.35 40.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.33 108.44 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 t -71.72 -58.66 3.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.105 . . . . 0.0 110.974 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -93.01 128.33 38.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.746 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.45 92.43 8.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.99 -113.87 1.07 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.095 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.17 126.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -108.11 135.0 50.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.86 86.39 0.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.56 52.28 0.11 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.6 p -144.27 179.18 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.1 t -143.99 146.31 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HB2' ' OE2' ' A' ' 74' ' ' GLU . 17.8 mttt -89.49 128.8 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 34' ' ' LEU . 77.5 t -117.25 112.36 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -81.4 115.28 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mt -85.35 163.78 43.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.38 17.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -91.68 39.28 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? 44.26 27.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 16' ' ' ASN . 1.4 mt-30 -122.19 174.67 6.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.99 152.45 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -141.35 128.39 20.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -87.68 119.69 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.6 157.61 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.5 m -85.35 150.99 24.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.91 109.89 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.9 OUTLIER -117.39 93.0 4.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -54.65 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.255 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 164.5 -66.68 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.445 ' CG ' HG22 ' A' ' 67' ' ' ILE . 22.0 ptm -56.53 163.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -90.49 176.4 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.5 t -77.65 -29.1 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' ASP . 17.4 t80 -63.22 -57.89 8.98 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -60.87 -26.16 67.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.06 -62.57 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.467 ' CD1' HG12 ' A' ' 12' ' ' VAL . 3.2 mm? -65.72 -20.39 66.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.4 t0 -44.07 -57.05 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -61.02 -55.24 35.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.501 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -43.24 -27.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.449 HD22 ' CG1' ' A' ' 77' ' ' VAL . 25.7 mt -90.55 -58.61 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -43.34 -48.51 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.246 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.3 p -39.54 -38.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -101.17 -28.01 12.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.48 9.48 29.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.5 mt -61.76 162.83 8.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.81 142.44 45.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.542 ' OE1' ' CZ3' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -86.17 45.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.08 -48.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.4 m -91.94 15.76 12.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 108.249 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 48.7 m -125.15 161.32 27.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 108.311 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.476 HG12 ' CE1' ' A' ' 51' ' ' TYR . 4.1 p -142.85 156.14 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.483 HG23 ' CH2' ' A' ' 63' ' ' TRP . 42.3 t -125.14 128.19 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 2.6 m-85 -107.28 142.15 37.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.486 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 37.1 mtm180 -119.03 140.51 49.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.401 ' N ' HD21 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -83.66 98.97 9.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.4 mp -100.9 -63.48 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -123.8 49.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.77 20.3 68.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.84 137.49 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -60.55 98.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.475 ' CG2' HD13 ' A' ' 54' ' ' ILE . 4.0 m -95.4 99.38 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 77.3 t -48.37 153.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.2 t -126.54 156.91 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.61 152.09 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.542 ' CZ3' ' OE1' ' A' ' 45' ' ' GLN . 62.2 m95 -78.48 -26.47 46.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -92.35 35.13 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.2 m -104.67 165.12 11.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.69 161.14 15.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.445 HG22 ' CG ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -110.47 18.1 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.076 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.509 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -79.74 -56.52 0.76 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.509 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 50.4 2.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.464 ' CD1' ' CD ' ' A' ' 73' ' ' GLU . 1.4 mm? -121.87 -41.0 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 70' ' ' LEU . 18.3 t0 -37.3 100.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 103.02 59.71 0.73 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.464 ' CD ' ' CD1' ' A' ' 70' ' ' LEU . 4.8 pt-20 -170.76 -177.01 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' OE2' ' HB2' ' A' ' 11' ' ' LYS . 6.3 mm-40 -140.88 131.66 25.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.482 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 1.3 mt -110.41 137.15 48.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 81.2 mt -115.61 109.4 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.449 ' CG1' HD22 ' A' ' 38' ' ' LEU . 94.1 t -91.78 115.08 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 18.5 mt-10 -134.14 145.85 49.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.91 136.11 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.7 mt -53.78 100.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.9 p -155.08 169.34 24.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -122.99 -76.17 0.34 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.39 21.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.525 1.802 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -44.07 -58.94 2.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.25 79.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 p 54.57 169.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -155.03 93.12 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.82 -63.31 0.1 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -120.73 91.14 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -124.67 92.52 3.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.26 135.8 7.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.14 -33.61 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.415 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 3.8 p -154.25 166.23 33.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 0.783 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.8 t -138.17 147.94 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -90.79 130.26 36.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' A' ' 34' ' ' LEU . 64.9 t -119.18 112.83 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -81.99 118.77 23.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 41' ' ' ARG . 11.2 mt -89.62 160.6 41.3 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 73.17 4.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER 173.98 41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt 48.3 24.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 16' ' ' ASN . 3.4 mt-30 -110.5 164.33 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.85 151.56 34.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.0 t -141.3 134.72 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' CG1' ' HB ' ' A' ' 9' ' ' THR . 2.8 t -87.75 131.09 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.5 t -121.35 155.91 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -83.46 147.79 27.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 t -95.68 109.89 23.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -115.12 103.38 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.43 78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 175.98 -62.33 0.1 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.483 ' CG ' ' CG2' ' A' ' 67' ' ' ILE . 20.4 ptm -58.23 168.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.4 p -96.68 -174.21 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.6 t -80.61 -42.7 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.552 ' CE1' ' NE2' ' A' ' 45' ' ' GLN . 39.3 t80 -55.54 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.52 -24.37 31.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -52.88 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.468 HD11 ' CG1' ' A' ' 12' ' ' VAL . 4.3 mm? -86.86 17.18 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.7 t70 -73.28 -50.97 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -76.49 -49.8 15.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.483 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -39.45 -31.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.464 HD22 ' CG1' ' A' ' 77' ' ' VAL . 39.8 mt -88.84 -58.9 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 41' ' ' ARG . 11.4 mttt -44.05 -49.33 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 10.2 p -40.0 -30.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 14' ' ' LEU . 3.0 mtt-85 -106.19 -31.33 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.74 3.3 18.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.475 HD23 ' CG2' ' A' ' 79' ' ' VAL . 23.3 mt -68.17 168.13 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -138.58 157.22 46.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.552 ' NE2' ' CE1' ' A' ' 31' ' ' TYR . 10.8 mp0 -86.66 44.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -125.52 -50.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 t -112.77 38.38 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 50.1 m -141.0 148.24 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.521 HG11 ' CZ ' ' A' ' 51' ' ' TYR . 5.5 p -133.65 154.63 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.567 HG22 ' CH2' ' A' ' 63' ' ' TRP . 47.9 t -122.22 121.8 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 5.8 m-85 -100.11 139.74 35.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.448 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 27.5 mtm180 -114.34 138.73 50.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -89.25 93.81 9.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.477 HD13 ' CG2' ' A' ' 59' ' ' THR . 1.6 mp -95.48 -63.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.29 45.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.03 22.65 74.26 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.57 142.4 48.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -65.75 107.21 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.477 ' CG2' HD13 ' A' ' 54' ' ' ILE . 8.1 m -103.56 107.78 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.0 t -53.11 144.21 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.15 162.35 22.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -92.22 162.41 14.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.567 ' CH2' HG22 ' A' ' 50' ' ' VAL . 86.6 m95 -90.49 -19.21 24.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -96.33 25.26 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.5 m -98.44 163.43 12.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.36 155.06 19.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.483 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 0.8 OUTLIER -101.13 16.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.495 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -78.04 -55.94 1.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.04 54.5 3.68 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.8 mm? -132.67 -42.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.477 ' C ' ' O ' ' A' ' 70' ' ' LEU . 52.7 t0 -34.49 105.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.08 54.54 1.18 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.484 ' OE2' ' CD1' ' A' ' 75' ' ' LEU . 1.3 pp20? -161.03 -169.01 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 7.2 mt-10 -147.73 123.71 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.254 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.484 ' CD1' ' OE2' ' A' ' 73' ' ' GLU . 1.2 mt -106.22 139.33 40.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 79.8 mt -116.9 110.91 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.464 ' CG1' HD22 ' A' ' 38' ' ' LEU . 86.3 t -91.71 126.89 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.41 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -139.06 172.0 13.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.475 ' CG2' HD23 ' A' ' 43' ' ' LEU . 62.3 t -98.76 134.46 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.81 138.4 58.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.9 t 65.51 144.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -128.72 96.56 0.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.4 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.9 p -132.64 115.83 15.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t 41.47 82.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -119.08 127.92 53.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -156.49 130.01 8.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.86 131.63 6.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t 64.42 105.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.768 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -135.35 167.94 20.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.13 175.88 42.19 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.33 60.51 0.55 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.1 p -153.25 176.36 12.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.772 . . . . 0.0 110.374 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 11' ' ' LYS . 93.1 t -140.25 144.2 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' N ' HG12 ' A' ' 10' ' ' VAL . 2.5 mtmt -92.05 129.51 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.474 HG12 ' CD1' ' A' ' 34' ' ' LEU . 17.5 t -114.57 112.73 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -83.51 116.09 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 41' ' ' ARG . 6.7 mt -80.95 163.15 56.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 18.2 Cg_endo -75.02 92.89 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.777 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER 158.31 -56.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 16' ' ' ASN . 0.3 OUTLIER 165.19 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -61.66 161.52 9.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.88 151.12 34.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 t -130.85 133.01 45.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -91.5 119.56 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.5 t -106.25 155.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.4 m -88.93 147.63 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.77 110.06 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -117.4 143.03 46.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.25 77.02 2.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.77 -57.38 0.17 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.49 ' CG ' ' CG2' ' A' ' 67' ' ' ILE . 16.4 ptm -58.06 162.42 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 p -106.08 175.53 5.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.8 -35.34 74.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' ASP . 78.9 t80 -64.04 -57.56 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.29 -20.36 62.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -62.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 12' ' ' VAL . 3.5 mm? -66.76 -17.12 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.4 t70 -39.89 -71.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -49.63 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.497 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -41.49 -32.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.504 ' CD1' ' OE1' ' A' ' 45' ' ' GLN . 10.2 mt -91.38 -60.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.5 mptt -40.64 -49.44 3.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 5.1 p -38.08 -41.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.471 ' HD2' ' CD1' ' A' ' 14' ' ' LEU . 5.2 mtt-85 -101.56 -24.44 14.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 109.34 5.35 30.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.454 HD22 ' CG2' ' A' ' 79' ' ' VAL . 24.0 mt -64.9 152.75 42.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -109.37 159.4 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.607 ' OE1' ' CZ3' ' A' ' 63' ' ' TRP . 2.3 mm100 -96.95 41.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.14 -51.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.9 34.76 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 22.3 m -141.01 155.27 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.48 HG12 ' CZ ' ' A' ' 51' ' ' TYR . 2.5 p -137.32 148.86 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 25.8 t -116.61 124.76 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.536 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.0 m-85 -103.43 141.21 36.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.485 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 44.2 mtm180 -116.77 146.33 42.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -89.42 98.03 11.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.8 mp -99.21 -70.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.48 52.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.55 36.49 93.27 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.59 139.28 21.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 0.8 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 108.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.464 ' CG2' HD13 ' A' ' 54' ' ' ILE . 2.2 m -105.92 103.07 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.5 t -52.07 148.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.87 164.18 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.367 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.45 161.7 16.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.607 ' CZ3' ' OE1' ' A' ' 45' ' ' GLN . 94.3 m95 -90.58 -38.41 13.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.013 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -67.94 -30.06 69.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 66' ' ' ALA . 16.8 m -46.95 171.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.425 ' N ' ' CG2' ' A' ' 65' ' ' THR . . . -99.39 171.95 7.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.49 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 1.1 tp -109.92 17.05 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.488 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -77.2 -55.72 1.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 56.96 4.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.525 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.5 mm? -139.4 -43.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.525 ' C ' ' O ' ' A' ' 70' ' ' LEU . 65.1 t0 -28.96 114.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.96 60.15 1.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -165.5 -164.08 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 6.0 mt-10 -146.72 134.53 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.471 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 2.4 mt -115.28 133.07 56.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 82.0 mt -113.26 110.43 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' A' ' 38' ' ' LEU . 58.5 t -88.59 132.88 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.536 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -141.13 168.02 20.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.454 ' CG2' HD22 ' A' ' 43' ' ' LEU . 84.8 t -101.88 131.56 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.0 138.32 57.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -166.32 136.82 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -107.83 101.98 1.71 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 58.57 4.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.79 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.54 108.81 13.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.7 m 62.69 119.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -129.34 154.04 47.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.1 170.7 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.71 88.5 0.03 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p 179.22 77.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 p -149.5 82.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.21 65.93 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.58 -39.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p -151.89 173.03 15.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 110.425 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 t -139.11 149.18 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.74 129.73 39.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 34' ' ' LEU . 30.3 t -118.69 111.19 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -80.11 118.25 21.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mt -91.17 160.75 36.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 77.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 16' ' ' ASN . 1.2 p30 168.06 42.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 46.39 25.52 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -111.99 163.85 13.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.22 152.78 37.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 t -138.76 133.29 31.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 t -89.32 124.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -114.73 158.25 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.4 m -86.07 148.52 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.364 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG1' ' HB2' ' A' ' 71' ' ' ASP . 2.5 t -89.3 110.21 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -108.9 -152.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.52 -46.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.06 56.39 2.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.482 ' CG ' ' CG2' ' A' ' 67' ' ' ILE . 13.1 ptm -178.13 162.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -105.11 -167.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.1 t -76.95 -38.43 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' ASP . 41.2 t80 -58.39 -59.26 5.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.32 -21.38 61.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.06 -62.66 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.468 ' CD1' HG13 ' A' ' 12' ' ' VAL . 3.5 mm? -67.67 -15.44 63.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.7 t70 -42.01 -55.92 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -63.36 -56.45 16.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -39.7 -30.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.466 HD21 ' CG1' ' A' ' 77' ' ' VAL . 36.0 mt -89.88 -66.47 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' LEU . 15.3 mttt -39.77 -52.76 2.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 p -39.96 -45.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 41' ' ' ARG . 5.2 mtp-105 -87.16 -32.43 19.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.52 9.72 20.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.7 mt -69.08 -179.55 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -144.19 156.56 44.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -88.5 40.21 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -125.21 -44.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.5 t -116.61 37.05 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.269 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 91.2 m -139.66 158.73 43.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.258 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.491 HG12 ' CZ ' ' A' ' 51' ' ' TYR . 3.3 p -148.34 152.9 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 48.6 t -121.7 123.29 69.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.2 m-85 -101.9 140.28 36.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.507 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 8.2 mtm-85 -103.63 130.51 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.49 101.48 9.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.507 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.7 mp -118.51 96.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 54' ' ' ILE . 0.0 OUTLIER 84.13 -51.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.04 40.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -146.49 142.48 28.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.56 108.6 5.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.461 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.2 m -102.3 97.61 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.9 t -43.54 134.34 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.42 ' CG2' ' HB ' ' A' ' 50' ' ' VAL . 1.3 t -110.62 154.76 23.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.96 143.01 26.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.44 ' CH2' HG23 ' A' ' 50' ' ' VAL . 89.0 m95 -69.35 -19.4 63.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -80.0 -39.88 29.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -38.8 156.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.404 ' HB1' ' CD ' ' A' ' 69' ' ' PRO . . . -86.48 163.13 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.482 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 8.2 tp -95.74 -6.12 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.491 ' N ' ' CD ' ' A' ' 69' ' ' PRO . . . -66.26 -52.83 35.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.96 58.55 4.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.509 ' O ' ' CG ' ' A' ' 73' ' ' GLU . 3.4 mm? -139.78 -44.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' A' ' 70' ' ' LEU . 26.8 t70 -32.07 116.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.13 51.65 3.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -156.98 -166.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 11.0 mt-10 -150.1 114.83 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.476 ' CD2' ' HG2' ' A' ' 52' ' ' ARG . 20.7 mt -99.06 136.62 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 83.8 mt -114.86 109.38 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 38' ' ' LEU . 95.4 t -91.69 111.6 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 25.5 mt-10 -127.54 149.85 49.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.5 t -77.6 139.82 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -70.49 110.79 5.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.56 155.22 34.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.27 172.43 45.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 110.27 3.09 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.11 126.11 37.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.3 p -97.16 -58.48 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m 61.98 108.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -135.07 158.86 43.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.45 -76.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -102.42 157.5 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -119.43 158.54 25.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.55 178.74 25.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.12 61.23 0.65 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.0 p -152.47 178.2 9.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.42 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.7 t -141.57 151.89 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -91.4 125.18 36.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 ' CG1' HD13 ' A' ' 34' ' ' LEU . 65.1 t -113.14 106.76 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -77.88 115.89 17.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.0 mt -86.11 164.57 38.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -5.36 16.69 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.505 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -92.05 34.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 11.1 pttt 49.03 23.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.13 178.0 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.51 151.24 41.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.5 t -138.24 129.74 27.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.8 t -83.8 126.61 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.3 t -116.93 162.33 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.1 m -89.05 141.47 28.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 t -90.48 109.91 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -119.13 98.98 6.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.86 82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 170.61 -73.64 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.479 ' CG ' HG21 ' A' ' 67' ' ' ILE . 17.7 ptm -46.29 153.21 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 65' ' ' THR . 22.8 t -80.01 175.58 10.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.1 t -74.84 -41.85 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ASP . 18.6 t80 -53.79 -55.64 24.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.67 -27.6 66.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -54.73 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.462 HD13 ' CG1' ' A' ' 12' ' ' VAL . 4.0 mm? -83.59 11.83 6.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -69.85 -54.15 14.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -71.17 -48.12 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.497 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -42.37 -33.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.479 HD21 ' CG1' ' A' ' 77' ' ' VAL . 53.1 mt -90.0 -59.53 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -43.11 -48.23 6.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.7 p -40.54 -33.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 mtt-85 -103.98 -32.58 9.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.75 8.04 16.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.455 ' CD2' ' SG ' ' A' ' 48' ' ' CYS . 24.2 mt -66.38 148.53 51.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.92 155.27 18.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -89.25 39.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -140.78 -46.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 80' ' ' LEU . 5.4 m -93.18 22.35 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.455 ' SG ' ' CD2' ' A' ' 43' ' ' LEU . 57.9 m -141.13 144.39 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.468 HG12 ' CZ ' ' A' ' 51' ' ' TYR . 3.6 p -127.33 157.63 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.574 ' CG2' ' CH2' ' A' ' 63' ' ' TRP . 47.3 t -124.04 118.49 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.468 ' CZ ' HG12 ' A' ' 49' ' ' VAL . 6.5 m-85 -98.88 139.85 33.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.491 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 28.4 mtm-85 -98.5 136.69 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -84.29 102.43 12.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.4 mp -124.88 91.38 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.12 44.7 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.38 51.11 60.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -148.98 107.32 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -57.27 109.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.475 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.6 m -109.3 100.12 9.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.2 t -41.33 135.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.0 162.26 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.438 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.07 159.64 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.574 ' CH2' ' CG2' ' A' ' 50' ' ' VAL . 59.8 m95 -85.6 -34.76 21.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 107.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -90.89 48.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.405 ' O ' ' OG ' ' A' ' 29' ' ' SER . 88.6 m -119.09 163.62 16.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.93 143.59 26.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.479 HG21 ' CG ' ' A' ' 28' ' ' MET . 0.6 OUTLIER -92.19 18.92 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.53 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -73.42 -57.76 2.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.53 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 51.03 2.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.499 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.7 mm? -130.02 -40.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' A' ' 70' ' ' LEU . 19.2 t0 -32.89 113.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.8 63.16 1.7 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.465 ' OE2' ' CD1' ' A' ' 75' ' ' LEU . 1.1 pp20? -166.74 -169.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.1 mt-10 -150.56 127.2 10.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.465 ' CD1' ' OE2' ' A' ' 73' ' ' GLU . 1.2 mt -109.14 148.62 30.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 95.2 mt -116.37 113.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.479 ' CG1' HD21 ' A' ' 38' ' ' LEU . 86.4 t -93.58 103.84 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.42 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -104.9 160.15 15.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 p -110.64 120.85 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' CYS . 70.5 mt -59.68 103.14 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.28 158.62 21.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.055 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.43 151.53 45.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.68 22.03 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.55 122.2 6.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.4 m -82.06 122.58 28.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.06 104.36 0.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.737 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.63 101.01 9.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.96 -162.23 14.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.96 113.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 110.001 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.58 120.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.54 -125.33 5.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.439 ' O ' ' CG2' ' A' ' 9' ' ' THR . . . -159.71 62.87 0.3 Allowed Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' A' ' 8' ' ' GLY . 6.9 p -156.56 169.62 24.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 0.796 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.432 ' CG1' ' OE2' ' A' ' 73' ' ' GLU . 85.3 t -134.3 145.2 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 23.0 mttt -93.23 132.4 37.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' CG1' HD13 ' A' ' 34' ' ' LEU . 66.5 t -120.17 133.36 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -99.04 115.43 28.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.67 163.85 63.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.175 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 87.12 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 165.0 -57.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER 165.65 -29.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -63.66 163.45 11.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.55 157.31 44.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.409 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 14.8 t -135.56 143.43 45.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.8 t -97.1 126.38 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.61 158.26 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.3 m -89.81 135.4 33.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.363 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.0 t -82.7 109.82 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 16.1 mtp85 -115.01 169.25 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -123.76 81.94 1.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.35 -60.56 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.093 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.535 ' CG ' ' CG2' ' A' ' 67' ' ' ILE . 17.9 ptm -55.93 162.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.0 p -98.24 177.71 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.3 t -70.36 -33.97 56.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' ASP . 13.3 t80 -61.72 -57.59 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.1 -19.64 61.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.24 -61.89 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD13 ' CG1' ' A' ' 12' ' ' VAL . 4.0 mm? -70.76 -7.02 41.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.3 t70 -48.92 -57.87 5.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -59.71 -56.99 14.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.466 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -38.75 -33.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.507 ' CD2' ' CG1' ' A' ' 77' ' ' VAL . 73.3 mt -90.23 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' LEU . 7.5 mttp -39.6 -50.63 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.6 p -39.47 -45.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.2 mtp180 -90.97 -31.13 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.59 10.49 23.24 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.5 mt -64.97 169.08 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.463 ' ND2' ' H ' ' A' ' 45' ' ' GLN . 5.3 t30 -117.13 173.06 6.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.463 ' H ' ' ND2' ' A' ' 44' ' ' ASN . 13.9 mp0 -107.7 41.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.23 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -140.89 -51.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.8 m -94.65 28.01 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.2 m -141.22 143.01 33.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.316 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.541 HG13 ' CE1' ' A' ' 51' ' ' TYR . 7.2 p -125.76 159.7 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.523 ' CG2' ' CH2' ' A' ' 63' ' ' TRP . 56.2 t -126.55 120.12 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CE1' HG13 ' A' ' 49' ' ' VAL . 5.9 m-85 -100.56 141.0 34.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.485 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 8.9 mtm180 -100.55 132.41 45.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' CD2' HD13 ' A' ' 76' ' ' ILE . 1.1 mm? -79.85 105.28 11.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -126.95 95.32 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.01 37.57 11.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.32 46.66 62.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -144.94 110.41 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.786 . . . . 0.0 110.28 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' HE3' ' CD1' ' A' ' 76' ' ' ILE . 12.9 mptt -57.96 110.88 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.475 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.2 m -108.48 99.77 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' THR . 53.1 t -40.28 143.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.439 ' CG2' ' HB ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -127.15 163.37 23.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -100.84 157.8 16.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.523 ' CH2' ' CG2' ' A' ' 50' ' ' VAL . 86.0 m95 -81.8 -35.84 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -34.31 77.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.9 m -43.89 159.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.77 172.15 8.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.535 ' CG2' ' CG ' ' A' ' 28' ' ' MET . 1.2 tp -110.52 5.92 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.665 ' N ' ' CD ' ' A' ' 69' ' ' PRO . . . -78.06 -42.25 2.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 52.48 3.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.434 1.754 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.415 ' CD2' ' C ' ' A' ' 69' ' ' PRO . 4.0 mm? -136.23 -59.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 t70 58.0 -89.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -124.44 111.8 1.66 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' OE2' ' CG1' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -174.07 -166.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 2.2 mt-10 -145.84 140.92 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 52' ' ' ARG . 7.1 mt -124.11 156.15 37.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.442 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 71.6 mt -119.14 116.74 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.507 ' CG1' ' CD2' ' A' ' 38' ' ' LEU . 88.6 t -93.2 103.7 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -102.41 159.27 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.3 p -114.15 117.15 54.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.84 -65.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.88 80.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.52 -87.92 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.1 17.03 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 167.66 -72.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.1 t -138.04 134.94 35.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -159.74 167.37 28.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.99 128.86 34.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.83 111.94 3.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m 47.8 95.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.742 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -48.63 140.96 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.52 -65.31 3.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.25 63.62 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.0 p -152.89 172.89 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 110.427 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.467 HG23 ' CG2' ' A' ' 24' ' ' VAL . 90.1 t -138.57 141.92 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' N ' HG12 ' A' ' 10' ' ' VAL . 2.4 mtpt -88.0 131.04 34.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.435 HG11 ' CD1' ' A' ' 34' ' ' LEU . 73.2 t -116.92 116.25 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -89.2 111.28 22.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.8 mt -83.58 162.78 52.15 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -2.71 12.9 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.449 1.763 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.497 ' ND2' HH21 ' A' ' 41' ' ' ARG . 1.3 t30 -94.91 38.67 1.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? 44.83 27.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -122.02 169.57 10.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.32 149.94 40.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.8 t -141.52 133.81 28.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 t -90.13 129.83 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.9 t -120.99 153.66 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 m -75.85 144.29 41.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.467 ' CG2' HG23 ' A' ' 10' ' ' VAL . 2.2 t -90.88 109.83 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.7 OUTLIER -113.62 133.27 55.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -98.1 49.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.11 38.8 0.29 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.485 ' CG ' HG23 ' A' ' 67' ' ' ILE . 17.3 ptm -167.81 148.97 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 0.788 . . . . 0.0 110.998 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -73.54 -171.92 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' CG1' HD22 ' A' ' 34' ' ' LEU . 72.4 t -87.52 -33.9 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' ASP . 57.0 t80 -56.93 -59.69 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.33 -25.15 61.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.45 -62.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.448 HD22 ' CG1' ' A' ' 30' ' ' VAL . 3.2 mm? -67.37 -10.78 54.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.9 t70 -48.52 -59.37 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -63.24 -54.66 33.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.476 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -39.66 -36.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.496 HD22 ' CG1' ' A' ' 77' ' ' VAL . 80.8 mt -90.14 -57.57 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -40.61 -50.77 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 37' ' ' ALA . 7.1 p -39.36 -42.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.497 HH21 ' ND2' ' A' ' 16' ' ' ASN . 0.8 OUTLIER -94.45 -31.55 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.87 6.88 22.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.473 HD22 ' CG2' ' A' ' 79' ' ' VAL . 25.3 mt -67.46 140.03 57.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -100.06 160.34 14.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -94.72 39.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.35 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.05 -45.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.6 t -109.68 35.71 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.246 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 23.5 m -140.92 144.28 35.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 108.275 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.509 HG22 ' CE1' ' A' ' 51' ' ' TYR . 2.5 p -129.93 150.04 34.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.502 HG23 ' CH2' ' A' ' 63' ' ' TRP . 39.8 t -117.31 129.25 74.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CE1' HG22 ' A' ' 49' ' ' VAL . 4.4 m-85 -107.98 140.83 40.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.489 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 9.8 mtm-85 -99.6 146.76 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.423 ' N ' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -89.13 102.46 15.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -125.33 93.39 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.08 42.34 12.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.81 52.01 46.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -149.28 110.3 4.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 0.754 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 103.25 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.464 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 2.0 m -103.7 101.71 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.2 t -39.45 157.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.23 158.9 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.56 162.21 17.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.502 ' CH2' HG23 ' A' ' 50' ' ' VAL . 94.0 m95 -88.98 -24.98 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -93.43 34.15 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 m -104.46 160.26 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.68 152.36 23.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.485 HG23 ' CG ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -101.04 19.87 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.52 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -79.02 -57.23 0.78 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.52 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 54.47 3.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.506 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.5 mm? -136.33 -43.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 70' ' ' LEU . 24.9 t0 -31.77 106.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.6 57.89 1.09 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -164.77 -165.55 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.4 mt-10 -154.3 124.51 6.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.467 ' CD2' ' HG2' ' A' ' 52' ' ' ARG . 19.9 mt -104.75 150.01 25.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.8 mt -118.46 116.35 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.496 ' CG1' HD22 ' A' ' 38' ' ' LEU . 98.3 t -93.94 127.78 45.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.493 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -136.74 169.45 17.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 110.316 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.473 ' CG2' HD22 ' A' ' 43' ' ' LEU . 42.1 t -102.09 134.81 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.1 mt -67.15 158.12 32.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.8 m 58.61 83.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -111.8 -163.85 17.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 110.18 3.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.542 1.811 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.69 149.07 32.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 m -65.12 129.22 38.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.12 112.9 18.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.994 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 p -162.75 167.09 23.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.04 101.91 2.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.01 162.91 40.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.53 77.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.31 -77.72 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.54 55.15 4.99 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.44 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 3.3 p -148.43 171.16 16.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.3 t -139.39 145.2 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.6 132.02 37.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.468 ' CG1' HD13 ' A' ' 34' ' ' LEU . 89.0 t -120.63 115.03 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -81.38 118.53 22.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.22 161.55 42.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.98 4.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -160.78 30.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt 57.07 17.53 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.05 170.44 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.242 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.9 154.36 41.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 t -138.17 134.18 34.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.44 ' CG1' ' HB ' ' A' ' 9' ' ' THR . 3.4 t -88.0 132.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 t -125.79 151.47 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.9 m -80.9 143.41 32.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.2 t -87.44 109.76 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.409 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.5 OUTLIER -111.78 128.38 56.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -86.26 73.78 10.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -179.61 -67.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.462 ' HG2' ' CG2' ' A' ' 67' ' ' ILE . 13.2 ptm -54.49 169.68 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 0.76 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -109.84 175.81 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.44 -41.47 92.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' ASP . 11.1 t80 -60.26 -54.59 43.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -18.27 57.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.7 -59.2 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.958 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.468 HD13 ' CG1' ' A' ' 12' ' ' VAL . 4.0 mm? -74.51 -2.02 23.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' TYR . 4.6 t70 -53.36 -50.87 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -75.07 -54.29 7.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -38.31 -33.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.467 HD22 ' CG1' ' A' ' 77' ' ' VAL . 21.6 mt -87.9 -63.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.4 mttp -43.22 -53.27 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -41.05 -42.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.7 mtp85 -87.98 -27.26 22.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 104.53 12.61 28.2 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.4 mt -73.79 171.5 13.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -122.04 169.39 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -99.16 39.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -142.45 -47.08 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' LEU . 11.2 p -93.67 23.02 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 78.7 m -141.36 145.81 35.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 108.268 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.541 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.1 p -135.69 156.4 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 75' ' ' LEU . 57.7 t -120.8 125.04 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.541 ' CE1' HG13 ' A' ' 49' ' ' VAL . 4.8 m-85 -104.47 137.29 42.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.501 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 4.3 mtm105 -95.53 143.71 26.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.42 ' N ' HD21 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -89.41 99.44 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -119.98 93.67 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.7 34.55 12.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.98 49.11 23.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -146.12 110.73 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.25 108.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.468 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.2 m -110.25 99.15 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 61' ' ' THR . 97.2 t -40.42 141.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.422 ' N ' HG11 ' A' ' 60' ' ' VAL . 0.6 OUTLIER -124.31 138.2 54.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.91 159.37 33.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -81.71 -30.84 32.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 107.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.46 -24.93 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.8 m -48.36 159.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.31 169.46 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.462 ' CG2' ' HG2' ' A' ' 28' ' ' MET . 1.5 tp -110.57 6.08 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.493 ' N ' ' CD ' ' A' ' 69' ' ' PRO . . . -77.04 -52.75 1.84 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 68' ' ' ALA . 18.1 Cg_endo -75.07 57.82 4.74 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.762 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' GLY . 3.3 mm? -136.9 -54.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 6.0 t0 50.87 -92.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -114.75 121.32 5.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.57 -168.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -142.86 140.18 31.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.48 ' CD2' ' HG2' ' A' ' 52' ' ' ARG . 12.7 mt -125.77 140.11 52.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 94.9 mt -111.39 114.09 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.467 ' CG1' HD22 ' A' ' 38' ' ' LEU . 91.6 t -95.32 108.37 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.452 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -110.59 161.56 15.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 p -108.99 117.06 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 47' ' ' CYS . 46.5 mt -66.36 125.9 27.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.3 t -164.53 147.61 8.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.42 -161.75 5.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.05 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.72 107.63 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.7 p -102.9 140.77 36.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -67.99 114.67 6.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 0.728 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.96 153.6 18.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.45 -118.74 2.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -57.52 -58.81 6.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.83 158.28 25.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.016 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' N ' ' OD1' ' A' ' 71' ' ' ASP . . . -104.05 -105.17 2.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.45 ' O ' ' CG2' ' A' ' 9' ' ' THR . . . -155.64 -43.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 8' ' ' GLY . 2.5 p -157.97 167.99 28.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 11' ' ' LYS . 24.9 t -140.02 149.01 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' N ' HG12 ' A' ' 10' ' ' VAL . 2.2 mtpt -91.55 129.59 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.426 HG11 ' CD1' ' A' ' 34' ' ' LEU . 71.7 t -116.32 112.65 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -84.17 116.42 22.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.9 mt -88.68 159.15 47.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 70.36 5.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.5 t-20 175.01 51.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER 38.73 30.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' ASN . 2.1 mt-30 -118.14 159.97 22.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.57 150.57 34.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 t -141.19 134.02 28.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.368 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t -86.48 133.43 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -124.89 160.2 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 m -77.4 156.58 31.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 9' ' ' THR . 8.9 t -97.64 109.64 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.492 ' CB ' ' SD ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -108.33 149.33 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -121.03 79.68 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.03 -63.9 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.492 ' SD ' ' CB ' ' A' ' 25' ' ' ARG . 12.9 ptm -54.51 162.42 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -85.7 177.79 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.8 t -77.05 -32.9 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 35' ' ' ASP . 13.1 t80 -59.55 -56.56 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.52 -24.54 66.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.08 -60.31 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' CD1' HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -74.14 -3.05 27.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 31' ' ' TYR . 5.9 t0 -52.03 -53.08 46.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -65.82 -56.56 11.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 36' ' ' LYS . . . -38.3 -32.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.495 HD21 ' CG1' ' A' ' 77' ' ' VAL . 52.9 mt -89.58 -62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' GLY . 15.0 mttt -39.56 -53.55 2.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' LYS . 14.7 p -39.0 -45.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' LEU . 22.3 mtp85 -88.92 -27.54 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 103.68 10.58 35.03 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 79' ' ' VAL . 24.8 mt -65.05 177.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -130.7 157.81 41.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 35' ' ' ASP . 9.9 mp0 -92.37 40.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -138.26 -50.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.6 m -98.01 30.96 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 81.3 m -140.99 151.87 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 108.289 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.524 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.3 p -136.64 155.04 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.574 HG21 ' CH2' ' A' ' 63' ' ' TRP . 26.0 t -121.82 129.76 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.524 ' CE1' HG13 ' A' ' 49' ' ' VAL . 2.7 m-85 -109.14 143.1 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HG2' ' CD2' ' A' ' 75' ' ' LEU . 37.4 mtm180 -115.15 141.4 48.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.54 96.47 10.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.495 HD11 ' CG2' ' A' ' 59' ' ' THR . 1.5 mp -98.55 -72.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.81 37.86 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.63 33.04 58.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.2 144.33 34.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.299 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.483 ' HG3' ' CB ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -65.23 97.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.495 ' CG2' HD11 ' A' ' 54' ' ' ILE . 29.3 m -97.45 97.7 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.9 t -44.16 156.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.33 155.87 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.75 162.49 20.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.574 ' CH2' HG21 ' A' ' 50' ' ' VAL . 94.3 m95 -88.68 -44.05 10.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.28 -25.5 65.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 66' ' ' ALA . 18.9 m -48.8 170.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.407 ' N ' ' CG2' ' A' ' 65' ' ' THR . . . -97.67 169.68 9.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.464 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.1 tp -106.83 7.75 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.481 ' CB ' ' HD3' ' A' ' 69' ' ' PRO . . . -71.99 -55.6 5.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -74.95 57.02 4.4 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.534 1.808 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.537 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.5 mm? -140.79 -44.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.8 t0 -29.08 120.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.46 58.27 2.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.513 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 2.2 pp20? -162.14 -169.25 2.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 11.2 mt-10 -147.42 113.94 5.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.489 ' CD1' ' OE2' ' A' ' 73' ' ' GLU . 1.5 mt -95.18 139.4 31.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 76.6 mt -114.82 113.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.495 ' CG1' HD21 ' A' ' 38' ' ' LEU . 69.6 t -91.39 130.97 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.35 172.0 13.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.472 ' CG2' HD22 ' A' ' 43' ' ' LEU . 74.0 t -100.61 132.17 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.19 -64.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.77 108.6 16.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.91 -84.93 0.19 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 119.17 5.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -48.96 137.09 13.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.011 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.4 p -78.56 -58.53 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.582 HG23 HG22 ' A' ' 24' ' ' VAL . 9.4 t -142.05 147.76 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 28.4 mttt -96.94 131.14 44.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.437 HG11 ' CD1' ' A' ' 34' ' ' LEU . 24.7 t -116.11 121.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -94.95 112.33 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.447 HD21 ' O ' ' A' ' 37' ' ' ALA . 12.8 mt -85.69 162.66 46.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HG2' HD11 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.02 -6.75 18.43 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.567 ' CB ' ' CZ ' ' A' ' 41' ' ' ARG . 1.3 t-20 -91.39 39.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 43.1 28.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 16' ' ' ASN . 2.9 mt-30 -122.33 168.7 11.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -141.89 151.37 42.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 t -140.97 135.06 30.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 2.9 t -91.88 131.85 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 23' ' ' THR . 22.5 t -122.3 162.89 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.419 ' N ' HG12 ' A' ' 22' ' ' VAL . 40.9 m -86.88 141.44 28.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.582 HG22 HG23 ' A' ' 10' ' ' VAL . 1.8 t -87.95 110.09 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 19.9 mtp85 -110.83 153.13 25.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -108.23 69.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -179.85 -59.99 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.562 ' O ' HG22 ' A' ' 67' ' ' ILE . 11.8 ptm -56.22 165.03 1.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 0.753 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.8 p -101.89 -173.76 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -76.93 -34.22 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 38.4 t80 -64.24 -57.02 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.1 -16.83 48.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.01 -62.16 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.834 HD12 HG21 ' A' ' 77' ' ' VAL . 3.9 mm? -69.36 -10.26 57.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.6 t70 -44.18 -70.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' O ' HG12 ' A' ' 40' ' ' VAL . 8.2 mmmm -55.4 -49.73 71.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.551 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -40.12 -30.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.96 HD21 HG11 ' A' ' 77' ' ' VAL . 37.3 mt -90.39 -59.38 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' VAL . 28.3 mmtt -43.67 -48.28 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.559 HG13 ' HG3' ' A' ' 41' ' ' ARG . 7.3 p -39.85 -31.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CZ ' ' CB ' ' A' ' 16' ' ' ASN . 3.3 mtt-85 -108.74 -30.58 8.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.2 5.01 23.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.886 HD22 ' SG ' ' A' ' 48' ' ' CYS . 21.3 mt -60.58 -177.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -152.01 157.32 41.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -88.28 41.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.67 -43.88 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.1 t -119.71 38.37 3.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.886 ' SG ' HD22 ' A' ' 43' ' ' LEU . 95.4 m -141.04 152.21 44.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.615 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 3.5 p -137.33 155.53 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.754 ' HB ' HG22 ' A' ' 61' ' ' THR . 42.2 t -122.61 126.45 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.615 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 4.5 m-85 -107.24 142.85 36.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.542 ' HA ' HD23 ' A' ' 75' ' ' LEU . 10.6 mtm180 -102.07 152.23 21.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -94.32 103.03 15.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.3 mp -127.7 108.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? 57.16 24.18 9.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.73 46.72 7.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -143.74 125.63 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 97.11 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -97.87 104.99 17.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.436 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -40.32 151.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.754 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.1 t -130.95 161.01 32.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.849 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -92.84 161.9 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.521 ' CH2' HG23 ' A' ' 50' ' ' VAL . 92.8 m95 -88.72 -41.9 12.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -63.03 -32.48 73.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.849 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 95.9 m -45.03 165.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.55 162.14 13.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.625 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -104.51 -1.68 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.862 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -60.63 -55.14 47.86 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.862 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.97 55.33 3.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.797 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.0 mm? -145.23 34.06 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 71' ' ' ASP . 4.5 t0 -74.66 118.13 17.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.1 83.38 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -170.26 -170.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 110.344 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 4.6 mt-10 -153.85 133.66 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 52' ' ' ARG . 9.9 mt -112.08 149.78 31.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 89.1 mt -116.07 114.33 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.96 HG11 HD21 ' A' ' 38' ' ' LEU . 58.2 t -96.06 116.92 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.461 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -124.72 172.13 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.7 t -101.02 129.39 52.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.1 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 23' ' ' THR . 5.9 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.507 HG23 HG22 ' A' ' 24' ' ' VAL . 39.2 t -145.08 146.4 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HG3' HG13 ' A' ' 21' ' ' VAL . 6.1 mttt -92.68 131.05 38.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.742 HG11 HD11 ' A' ' 34' ' ' LEU . 76.7 t -116.01 120.92 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -90.5 111.17 22.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 mt -83.64 164.75 43.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.67 20.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -89.65 42.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt 40.1 29.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' ASN . 3.6 mt-30 -123.38 169.56 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 150.36 43.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.248 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -139.77 131.27 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.429 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.458 HG13 ' HG3' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -90.22 120.82 39.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.59 160.33 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.409 ' HA ' HG22 ' A' ' 9' ' ' THR . 53.9 m -87.27 140.7 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.507 HG22 HG23 ' A' ' 10' ' ' VAL . 2.2 t -83.0 109.3 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 2.1 mtt180 -106.6 155.52 19.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -116.36 84.94 2.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.49 -66.18 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.734 ' HG3' HG21 ' A' ' 67' ' ' ILE . 8.3 ptm -58.3 176.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -111.58 176.08 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 66' ' ' ALA . 92.9 t -63.73 -38.28 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.64 ' CD2' ' OE1' ' A' ' 45' ' ' GLN . 11.1 t80 -60.24 -56.23 24.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.15 -23.91 66.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.02 -62.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.742 HD11 HG11 ' A' ' 12' ' ' VAL . 3.6 mm? -68.42 -11.83 60.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' TYR . 6.4 t70 -45.14 -60.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.429 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -63.06 -55.43 25.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.532 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -39.33 -33.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.864 HD21 HG11 ' A' ' 77' ' ' VAL . 54.2 mt -90.98 -58.95 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -39.57 -49.22 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 37' ' ' ALA . 7.4 p -39.12 -44.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' LEU . 4.5 mtt-85 -96.46 -26.98 15.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.51 16.42 22.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.442 1.089 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.904 HD22 ' SG ' ' A' ' 48' ' ' CYS . 18.7 mt -65.66 126.14 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.795 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.4 134.69 36.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.64 ' OE1' ' CD2' ' A' ' 31' ' ' TYR . 14.4 mt-30 -77.48 56.59 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -155.31 -45.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.2 m -92.53 16.35 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.904 ' SG ' HD22 ' A' ' 43' ' ' LEU . 53.4 m -133.86 147.34 51.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.33 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.517 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.7 p -128.57 160.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.619 ' HB ' HG22 ' A' ' 61' ' ' THR . 40.9 t -126.17 129.3 72.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.54 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.8 m-85 -109.52 140.2 43.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.674 ' HA ' HD23 ' A' ' 75' ' ' LEU . 10.0 mtm-85 -95.6 138.86 32.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.53 100.2 11.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.496 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -122.73 93.41 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.04 39.46 13.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.95 50.35 47.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -146.84 106.86 3.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.45 103.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.3 m -104.02 101.68 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' THR . 99.3 t -39.5 135.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.619 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -114.23 159.56 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.75 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -99.84 135.95 40.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.604 ' CE3' ' OE1' ' A' ' 45' ' ' GLN . 95.0 m95 -59.75 -43.33 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 108.003 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' THR . 22.7 m-20 -54.29 -39.6 67.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.75 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 8.0 m -38.51 155.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -85.62 178.22 7.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.77 ' HA ' HD23 ' A' ' 70' ' ' LEU . 2.4 tp -120.07 9.67 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.901 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.97 -56.1 1.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.06 55.17 3.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.77 HD23 ' HA ' ' A' ' 67' ' ' ILE . 3.1 mm? -137.8 32.88 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -78.79 125.25 29.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.088 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.86 78.6 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 2.4 pp20? -161.84 -176.3 5.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 2.4 mt-10 -151.8 115.04 4.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' A' ' 52' ' ' ARG . 10.3 mt -97.15 150.47 20.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.6 mt -117.88 111.94 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.864 HG11 HD21 ' A' ' 38' ' ' LEU . 43.8 t -94.2 110.25 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.54 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.4 mt-10 -110.97 161.4 15.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 p -109.46 124.36 66.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.575 ' HB ' HG12 ' A' ' 21' ' ' VAL . 13.8 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.452 HG23 HG22 ' A' ' 24' ' ' VAL . 53.1 t -140.6 152.64 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -91.99 127.91 37.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 19' ' ' ARG . 25.3 t -114.5 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -89.7 110.78 21.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.493 HD13 ' HD2' ' A' ' 41' ' ' ARG . 8.7 mt -82.72 164.14 48.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -8.04 19.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -91.16 40.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 42.05 28.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 16' ' ' ASN . 2.2 mt-30 -121.89 170.58 9.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -140.96 151.05 43.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 t -141.44 136.71 31.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.575 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.6 t -87.21 124.43 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.6 t -111.17 156.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.3 m -89.53 138.29 31.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.69 HG12 ' OD1' ' A' ' 26' ' ' ASP . 1.4 t -88.55 110.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -96.8 -29.97 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.69 ' OD1' HG12 ' A' ' 24' ' ' VAL . 25.2 m-20 60.51 115.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.64 -61.26 0.58 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.414 ' SD ' ' HB2' ' A' ' 25' ' ' ARG . 20.8 ptm -55.92 165.74 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -76.46 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.525 HG13 HD23 ' A' ' 34' ' ' LEU . 58.2 t -83.19 -26.85 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 21.8 t80 -61.3 -59.42 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -61.26 -25.14 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.78 -62.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.791 HD12 HG21 ' A' ' 77' ' ' VAL . 4.2 mm? -70.28 -9.78 57.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.5 t70 -46.65 -71.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.75 -52.7 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.536 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -41.96 -30.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.041 HD21 HG11 ' A' ' 77' ' ' VAL . 49.1 mt -91.88 -55.82 3.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.0 mmmt -43.42 -47.65 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 37' ' ' ALA . 7.3 p -39.07 -34.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.506 ' HG3' HG13 ' A' ' 40' ' ' VAL . 1.9 mtt85 -107.72 -27.36 10.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.67 9.24 33.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.421 1.075 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.91 HD22 ' SG ' ' A' ' 48' ' ' CYS . 16.3 mt -57.94 159.14 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -108.0 156.85 18.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.411 ' HG3' HD12 ' A' ' 38' ' ' LEU . 14.7 mp0 -94.74 40.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.94 -47.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.1 m -95.58 27.13 3.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.91 ' SG ' HD22 ' A' ' 43' ' ' LEU . 86.5 m -141.07 149.15 41.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 108.266 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.562 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.6 p -133.73 163.54 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.536 ' HB ' HG22 ' A' ' 61' ' ' THR . 40.2 t -128.73 124.84 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.2 m-85 -105.88 142.57 35.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.7 ' HG2' HD23 ' A' ' 75' ' ' LEU . 18.9 mtm180 -120.43 137.3 54.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 100.28 9.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.73 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.1 mp -100.73 -66.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.489 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -120.86 49.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.25 21.02 71.81 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -132.81 140.25 47.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.99 98.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.73 ' HB ' HD13 ' A' ' 54' ' ' ILE . 11.8 m -95.64 100.04 11.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.423 HG13 HG23 ' A' ' 49' ' ' VAL . 75.2 t -47.46 159.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.536 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.1 t -133.16 159.09 41.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.902 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -90.17 147.92 23.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.401 ' CH2' HG23 ' A' ' 50' ' ' VAL . 89.2 m95 -73.87 -24.3 59.72 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -78.85 -35.69 43.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.902 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 33.5 m -40.47 161.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.12 158.96 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.684 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -97.84 18.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.86 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -78.71 -55.75 0.98 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.86 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 55.06 3.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.6 mm? -137.66 -43.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.505 ' HB2' HG11 ' A' ' 24' ' ' VAL . 15.3 t70 -32.69 110.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.84 57.32 1.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.599 ' OE2' HD12 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -161.87 -167.86 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.777 . . . . 0.0 110.277 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.9 mt-10 -148.23 120.16 8.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.7 HD23 ' HG2' ' A' ' 52' ' ' ARG . 1.2 mp -102.87 147.07 27.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 92.0 mt -118.3 111.09 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.041 HG11 HD21 ' A' ' 38' ' ' LEU . 57.2 t -91.87 113.8 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.7 mt-10 -115.27 161.54 18.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 p -110.57 121.9 64.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 90.0 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.928 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.716 ' HB ' HG12 ' A' ' 21' ' ' VAL . 13.3 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.684 HG23 HG22 ' A' ' 24' ' ' VAL . 89.3 t -138.4 141.45 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -85.36 125.53 33.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 19' ' ' ARG . 25.3 t -111.33 113.11 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -83.7 114.03 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.587 HD13 ' HD2' ' A' ' 41' ' ' ARG . 9.6 mt -87.71 158.72 50.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HG2' HD11 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.0 70.69 5.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.5 t-20 174.72 51.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER 38.5 31.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 16' ' ' ASN . 6.2 mt-30 -118.7 158.99 24.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 3.7 ptt180 -145.3 150.83 37.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -141.11 129.1 21.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.716 HG12 ' HB ' ' A' ' 9' ' ' THR . 2.2 t -84.11 128.84 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.52 156.57 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.4 m -83.54 143.52 30.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.684 HG22 HG23 ' A' ' 10' ' ' VAL . 1.9 t -92.45 109.55 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -114.18 111.17 21.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -71.7 64.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.17 -52.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.55 ' O ' HG22 ' A' ' 67' ' ' ILE . 14.6 ptm -67.1 164.95 16.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 0.725 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -97.86 177.68 5.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -72.98 -43.2 59.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' ASP . 55.2 t80 -55.25 -55.74 27.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -60.05 -23.4 63.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.11 -62.39 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.66 HD12 HG21 ' A' ' 77' ' ' VAL . 3.4 mm? -67.09 -10.97 55.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' TYR . 9.1 t0 -49.18 -52.08 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.536 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -74.28 -50.58 18.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.531 ' CB ' HD13 ' A' ' 34' ' ' LEU . . . -39.68 -30.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.007 HD21 HG11 ' A' ' 77' ' ' VAL . 60.0 mt -90.95 -57.76 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -40.73 -51.3 3.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 36' ' ' LYS . 5.3 p -38.61 -42.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.587 ' HD2' HD13 ' A' ' 14' ' ' LEU . 2.9 mtt-85 -96.13 -25.01 16.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 103.51 9.33 38.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.592 HD22 ' SG ' ' A' ' 48' ' ' CYS . 25.8 mt -67.17 160.95 25.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -121.07 163.27 18.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -95.01 41.39 1.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.91 -52.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 t -105.94 37.2 2.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.592 ' SG ' HD22 ' A' ' 43' ' ' LEU . 92.7 m -140.55 160.33 40.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 108.343 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.586 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.6 p -150.08 152.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.77 HG22 HG22 ' A' ' 77' ' ' VAL . 27.4 t -120.21 126.11 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.586 ' CE1' HG13 ' A' ' 49' ' ' VAL . 3.2 m-85 -104.99 143.47 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.524 ' NH1' HD11 ' A' ' 70' ' ' LEU . 6.3 mtm180 -102.64 140.94 36.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.46 105.42 14.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -126.53 94.31 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.3 37.32 11.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.13 51.92 30.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -150.98 110.29 3.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.35 110.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.465 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.1 m -111.63 97.58 6.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.467 HG13 ' CG2' ' A' ' 49' ' ' VAL . 65.3 t -39.49 149.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.492 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -125.97 163.74 22.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.882 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -91.19 162.63 14.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.53 ' CH2' HG23 ' A' ' 50' ' ' VAL . 90.6 m95 -91.74 -20.47 21.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.06 21.21 8.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.882 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 13.9 m -96.46 159.26 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.54 154.07 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.701 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -101.74 16.85 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.881 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.13 -55.83 1.33 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.881 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -74.94 55.18 3.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.866 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.4 mm? -141.24 36.73 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.47 99.44 8.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.52 86.81 0.97 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.571 ' OE2' HG11 ' A' ' 10' ' ' VAL . 2.3 pp20? -170.04 -167.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -152.41 119.9 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.753 HD22 HG12 ' A' ' 50' ' ' VAL . 46.3 mt -97.34 137.52 36.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.1 mt -114.13 109.84 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.007 HG11 HD21 ' A' ' 38' ' ' LEU . 62.1 t -93.0 110.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 20.6 mt-10 -125.02 150.04 47.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.72 139.92 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.746 ' HB ' HG12 ' A' ' 21' ' ' VAL . 7.6 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.694 HG21 ' O ' ' A' ' 70' ' ' LEU . 71.0 t -136.86 139.19 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -85.26 125.98 33.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.572 HG11 HD11 ' A' ' 34' ' ' LEU . 56.9 t -112.46 110.86 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -78.39 117.16 19.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 mt -89.22 160.38 42.87 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 70.39 5.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 18' ' ' GLN . 2.3 t30 174.04 51.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 38.61 31.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' ASN . 3.6 mt-30 -118.07 163.81 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.91 150.3 32.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.409 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.8 t -138.96 126.74 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.384 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.746 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.5 t -83.98 124.53 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 t -117.51 151.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.8 m -72.93 151.5 41.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.737 HG11 ' HA ' ' A' ' 71' ' ' ASP . 2.1 t -98.59 109.79 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.68 -157.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -146.73 -48.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.23 58.05 2.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.468 ' CE ' ' OG ' ' A' ' 33' ' ' SER . 19.3 ptm -177.3 158.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 0.724 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 p -99.98 -176.72 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.951 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.714 HG13 HD23 ' A' ' 34' ' ' LEU . 72.6 t -74.15 -33.59 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 17.3 t80 -59.66 -59.27 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.04 -22.75 66.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.468 ' OG ' ' CE ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -78.89 -62.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.714 HD23 HG13 ' A' ' 30' ' ' VAL . 3.8 mm? -68.3 -14.57 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 6.0 t0 -41.98 -57.3 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.66 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -63.03 -58.46 7.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.516 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -39.39 -30.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.909 HD21 HG11 ' A' ' 77' ' ' VAL . 25.3 mt -89.08 -63.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' GLY . 13.4 mttt -39.53 -52.5 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.66 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.5 p -39.2 -48.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 16' ' ' ASN . 25.1 mtp180 -87.84 -24.61 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 99.96 12.53 39.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.911 HD22 ' SG ' ' A' ' 48' ' ' CYS . 34.1 mt -68.27 167.61 14.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.795 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -117.59 172.63 7.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -103.72 42.58 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.76 -46.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.2 m -93.33 21.98 5.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.282 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.911 ' SG ' HD22 ' A' ' 43' ' ' LEU . 82.2 m -141.12 157.31 45.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 108.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.587 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 3.4 p -141.38 160.56 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.641 ' HB ' HG22 ' A' ' 61' ' ' THR . 21.4 t -128.04 124.07 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.587 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 3.4 m-85 -105.12 142.63 34.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.507 ' HG2' HD23 ' A' ' 75' ' ' LEU . 42.2 mtp180 -109.89 133.2 53.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.443 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -78.32 105.13 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 59' ' ' THR . 1.7 mp -123.61 101.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 54' ' ' ILE . 0.0 OUTLIER 82.78 -53.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.15 40.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -149.67 143.95 25.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 0.754 . . . . 0.0 110.353 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -71.14 110.12 5.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 15.9 m -105.53 95.54 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.6 t -43.01 148.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.641 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -124.09 156.07 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.832 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -88.45 145.61 25.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.537 ' CH2' HG23 ' A' ' 50' ' ' VAL . 84.4 m95 -71.06 -19.81 62.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.03 29.04 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.832 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 1.9 m -102.59 151.27 22.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.65 160.56 29.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.604 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -113.29 22.9 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.929 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -79.84 -58.67 0.6 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 1.005 ' C ' HD22 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.02 51.23 2.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.005 HD22 ' C ' ' A' ' 69' ' ' PRO . 2.2 mm? -141.89 30.13 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.737 ' HA ' HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -59.26 -75.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.51 96.55 1.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.545 ' OE2' HD12 ' A' ' 75' ' ' LEU . 1.7 pp20? -169.71 -173.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 5.1 mt-10 -147.33 113.66 5.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.545 HD12 ' OE2' ' A' ' 73' ' ' GLU . 1.1 mt -91.67 143.16 26.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 61.4 mt -117.35 113.01 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.909 HG11 HD21 ' A' ' 38' ' ' LEU . 49.3 t -93.62 113.44 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.8 mt-10 -115.05 161.43 18.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 p -111.53 119.31 59.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.789 ' HB ' HG12 ' A' ' 21' ' ' VAL . 9.7 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.811 HG23 HG22 ' A' ' 24' ' ' VAL . 93.3 t -138.13 143.47 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -84.5 126.22 33.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.562 HG11 ' CD1' ' A' ' 34' ' ' LEU . 55.2 t -115.3 112.46 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -82.57 115.5 21.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.955 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.476 HD13 ' HD2' ' A' ' 41' ' ' ARG . 9.8 mt -86.15 164.62 37.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -5.23 16.54 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.787 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.497 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -92.42 34.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 37.0 pttt 49.17 23.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -117.56 177.34 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 151.31 38.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -140.36 132.82 28.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.431 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.789 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.4 t -87.19 123.41 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 23' ' ' THR . 83.8 t -110.62 160.64 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.41 ' N ' HG12 ' A' ' 22' ' ' VAL . 88.7 m -82.07 148.05 28.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.811 HG22 HG23 ' A' ' 10' ' ' VAL . 4.2 t -98.83 109.77 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 11.6 mtp180 -115.92 158.99 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -115.56 82.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.47 -64.96 0.19 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.633 ' CG ' HG21 ' A' ' 67' ' ' ILE . 15.1 ptm -52.06 169.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.0 p -101.89 -172.43 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.456 HG13 HD23 ' A' ' 34' ' ' LEU . 74.6 t -80.42 -31.56 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASP . 15.2 t80 -64.49 -57.11 10.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.6 -19.6 62.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.607 ' CB ' HD13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -84.14 -62.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.804 HD12 HG21 ' A' ' 77' ' ' VAL . 4.1 mm? -70.57 -7.97 47.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.1 t70 -46.62 -73.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.6 -50.19 63.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -39.9 -30.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.894 HD21 HG11 ' A' ' 77' ' ' VAL . 36.4 mt -91.49 -57.66 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 40' ' ' VAL . 21.5 mmmt -42.36 -48.28 5.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 37' ' ' ALA . 7.2 p -38.95 -35.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.476 ' HD2' HD13 ' A' ' 14' ' ' LEU . 3.4 mtt85 -106.24 -28.07 10.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.46 10.47 29.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.851 HD22 ' SG ' ' A' ' 48' ' ' CYS . 20.3 mt -60.82 167.53 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -114.29 163.75 14.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.531 ' HG3' HD12 ' A' ' 38' ' ' LEU . 7.4 mp0 -101.06 41.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -146.37 -46.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 56.1 m -92.62 22.08 4.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.331 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.851 ' SG ' HD22 ' A' ' 43' ' ' LEU . 62.7 m -140.94 146.09 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.55 HG13 ' CE1' ' A' ' 51' ' ' TYR . 6.3 p -130.15 163.63 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 77' ' ' VAL . 47.7 t -128.58 124.48 61.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 5.1 m-85 -103.59 142.02 35.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.582 ' HG2' HD23 ' A' ' 75' ' ' LEU . 24.1 mtm180 -117.26 145.06 44.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.58 95.67 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.915 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.5 mp -92.79 -70.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.544 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -119.05 51.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.56 31.18 77.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.25 140.85 28.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HE3' ' CD1' ' A' ' 76' ' ' ILE . 4.2 mttp -62.72 110.05 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.915 ' HB ' HD13 ' A' ' 54' ' ' ILE . 2.1 m -108.85 104.7 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.485 HG13 ' CG2' ' A' ' 49' ' ' VAL . 72.7 t -47.7 152.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.29 159.75 35.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.453 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.849 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -88.62 158.68 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -83.76 -27.14 29.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 107.993 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -31.91 59.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.849 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 28.4 m -42.7 162.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.409 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.35 163.49 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.633 HG21 ' CG ' ' A' ' 28' ' ' MET . 0.8 OUTLIER -103.34 12.39 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.892 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -79.66 -56.96 0.73 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.892 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.1 Cg_endo -75.0 53.4 3.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 71' ' ' ASP . 0.8 OUTLIER -140.36 -43.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.748 ' OD1' HG11 ' A' ' 24' ' ' VAL . 25.7 t70 -29.4 128.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.86 56.38 3.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.664 ' OE2' HD12 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -160.68 -165.77 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 0.792 . . . . 0.0 110.335 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 14.8 mt-10 -147.99 113.17 5.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.664 HD12 ' OE2' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -96.51 144.14 26.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.426 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 84.8 mt -117.39 109.52 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.894 HG11 HD21 ' A' ' 38' ' ' LEU . 48.1 t -91.7 112.69 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -115.97 161.08 19.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 p -108.18 124.33 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.432 ' HB ' HG12 ' A' ' 21' ' ' VAL . 6.7 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.672 HG23 HG22 ' A' ' 24' ' ' VAL . 22.6 t -139.61 150.54 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.547 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -96.41 129.07 43.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 19' ' ' ARG . 75.4 t -118.08 142.93 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -114.92 118.19 32.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.549 HD13 ' HD2' ' A' ' 41' ' ' ARG . 13.8 mt -89.41 157.44 47.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 54.13 3.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -155.42 24.25 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 mttp 64.48 11.94 6.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -107.32 166.21 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.57 154.43 42.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.2 t -137.72 141.18 41.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.432 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.4 t -93.51 123.78 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 23' ' ' THR . 40.8 t -110.03 168.44 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.516 ' N ' HG12 ' A' ' 22' ' ' VAL . 58.0 m -97.33 143.35 28.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.672 HG22 HG23 ' A' ' 10' ' ' VAL . 2.0 t -92.76 110.28 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 23.6 mtp180 -121.21 126.49 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.99 78.17 9.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.86 -60.08 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.608 ' CG ' HG21 ' A' ' 67' ' ' ILE . 15.9 ptm -62.65 174.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.744 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.7 p -107.53 -175.49 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.483 HG13 HD23 ' A' ' 34' ' ' LEU . 73.0 t -78.21 -32.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' ASP . 48.2 t80 -62.24 -58.8 6.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.84 -22.36 65.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.19 -62.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.817 HD12 HG21 ' A' ' 77' ' ' VAL . 4.0 mm? -67.78 -17.99 64.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.3 t0 -39.28 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.617 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -50.51 -50.5 52.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.52 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -43.2 -29.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.994 HD21 HG11 ' A' ' 77' ' ' VAL . 59.0 mt -90.27 -60.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 7.2 mmmm -39.96 -50.66 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 36' ' ' LYS . 5.2 p -39.4 -45.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.549 ' HD2' HD13 ' A' ' 14' ' ' LEU . 21.0 mtp85 -91.76 -30.87 16.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.02 10.27 22.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.554 HD22 ' SG ' ' A' ' 48' ' ' CYS . 23.2 mt -67.41 175.34 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -135.45 163.58 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -98.11 38.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -125.35 -52.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -106.86 42.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.336 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.554 ' SG ' HD22 ' A' ' 43' ' ' LEU . 90.3 m -141.13 163.43 32.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.606 HG23 HG13 ' A' ' 60' ' ' VAL . 3.2 p -149.31 152.86 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 77' ' ' VAL . 42.7 t -121.36 124.75 72.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.601 ' CE1' HG13 ' A' ' 49' ' ' VAL . 2.8 m-85 -103.68 138.46 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.608 ' HG2' HD23 ' A' ' 75' ' ' LEU . 46.7 mtm180 -116.31 138.95 50.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.4 96.28 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.887 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.7 mp -95.2 -64.55 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -121.08 35.25 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.75 11.8 78.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -122.12 138.73 54.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -62.11 98.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.887 ' HB ' HD13 ' A' ' 54' ' ' ILE . 1.5 m -94.1 104.23 16.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.606 HG13 HG23 ' A' ' 49' ' ' VAL . 94.8 t -54.18 142.28 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.561 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -117.99 161.37 19.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.442 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.659 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -87.32 162.34 17.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.521 ' CH2' HG23 ' A' ' 50' ' ' VAL . 92.2 m95 -91.54 -25.95 18.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.48 -28.93 37.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.659 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 16.8 m -45.76 171.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.517 ' N ' HG22 ' A' ' 65' ' ' THR . . . -100.33 164.58 11.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.608 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.2 tp -106.42 10.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.852 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.61 -55.2 1.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.852 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 58.13 4.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.804 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.4 mm? -142.46 21.49 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.66 113.95 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.67 94.07 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 2.2 pp20? -175.65 -164.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 0.781 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.547 ' OE2' ' CB ' ' A' ' 11' ' ' LYS . 8.6 mm-40 -151.29 134.37 15.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.608 HD23 ' HG2' ' A' ' 52' ' ' ARG . 1.7 mt -115.73 131.22 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 77.4 mt -113.97 112.04 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.994 HG11 HD21 ' A' ' 38' ' ' LEU . 95.7 t -89.78 131.73 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -142.89 171.83 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.4 t -97.05 131.84 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.472 HD21 ' HB ' ' A' ' 49' ' ' VAL . 46.8 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.463 ' HB ' HG12 ' A' ' 21' ' ' VAL . 1.2 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 71' ' ' ASP . 3.4 t -140.99 145.17 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -92.91 128.74 38.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 19' ' ' ARG . 25.5 t -115.24 114.37 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -87.44 115.49 24.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD21 ' O ' ' A' ' 37' ' ' ALA . 11.1 mt -89.75 158.27 45.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.47 3.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.416 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER 171.96 42.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mttt 46.18 25.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 16' ' ' ASN . 5.8 mt-30 -112.95 158.43 20.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -146.5 151.87 38.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.405 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.8 t -140.36 134.02 30.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.463 HG12 ' HB ' ' A' ' 9' ' ' THR . 3.6 t -88.5 134.61 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 23' ' ' THR . 44.7 t -126.78 166.82 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.503 ' N ' HG12 ' A' ' 22' ' ' VAL . 54.0 m -87.48 148.79 24.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.755 HG11 ' OD2' ' A' ' 71' ' ' ASP . 2.8 t -92.28 109.97 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 9.4 mtt85 -114.94 -169.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.421 ' HA ' ' HB2' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -132.3 -49.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.1 -73.31 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.653 ' CG ' HG21 ' A' ' 67' ' ' ILE . 11.7 ptm -42.3 165.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 34.1 m -110.89 -174.9 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.3 t -67.43 -45.6 85.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ASP . 7.0 t80 -59.0 -51.27 70.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.05 -30.23 70.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -54.84 6.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.646 HD12 HG21 ' A' ' 77' ' ' VAL . 4.2 mm? -83.27 10.88 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' TYR . 8.9 t0 -64.58 -53.79 42.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.547 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -70.97 -49.68 42.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.469 ' O ' HD21 ' A' ' 14' ' ' LEU . . . -39.96 -34.5 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.035 HD21 HG11 ' A' ' 77' ' ' VAL . 45.7 mt -89.91 -64.49 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.6 mttp -39.57 -55.09 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.5 p -39.44 -44.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 41' ' ' ARG . 8.1 mtp-105 -87.21 -30.4 21.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 106.04 11.34 28.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.871 HD22 ' SG ' ' A' ' 48' ' ' CYS . 24.3 mt -66.0 -177.9 0.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -136.85 152.33 50.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -87.97 42.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -143.97 -49.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.6 m -95.15 27.45 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.871 ' SG ' HD22 ' A' ' 43' ' ' LEU . 90.7 m -140.4 166.72 23.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.298 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.616 HG13 ' CE1' ' A' ' 51' ' ' TYR . 5.7 p -149.94 157.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.634 HG22 HG22 ' A' ' 77' ' ' VAL . 21.2 t -125.15 132.63 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.616 ' CE1' HG13 ' A' ' 49' ' ' VAL . 2.7 m-85 -112.55 136.37 52.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 9.7 mtm180 -104.14 137.93 41.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -91.72 92.02 8.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.583 HD13 HG21 ' A' ' 59' ' ' THR . 2.5 mp -99.22 -70.21 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.96 50.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.37 23.61 62.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -131.28 130.21 42.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.36 104.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.583 HG21 HD13 ' A' ' 54' ' ' ILE . 2.0 m -98.21 97.99 9.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -49.01 125.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.478 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -106.92 142.73 36.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.934 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -75.47 158.16 33.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.503 ' CH2' ' CG2' ' A' ' 50' ' ' VAL . 86.2 m95 -81.29 -52.07 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -50.73 -30.92 15.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.934 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 15.5 m -47.67 158.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 29' ' ' SER . . . -95.47 165.88 12.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.653 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.6 tp -100.73 -0.41 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.84 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -68.29 -54.76 14.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.84 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.96 55.59 3.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.593 HD13 ' HG3' ' A' ' 73' ' ' GLU . 0.1 OUTLIER 176.46 125.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.755 ' OD2' HG11 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -154.4 -60.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' N ' ' OE2' ' A' ' 73' ' ' GLU . . . -80.44 67.16 3.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.593 ' HG3' HD13 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -160.31 -173.83 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -140.8 117.63 11.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.285 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.491 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 1.9 mt -90.25 137.92 31.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 79.4 mt -115.93 113.05 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.035 HG11 HD21 ' A' ' 38' ' ' LEU . 95.6 t -91.9 131.74 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -140.3 168.21 20.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.2 t -101.78 130.24 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 46' ' ' ASP . 57.4 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.635 ' HB ' HG12 ' A' ' 21' ' ' VAL . 7.3 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 15.0 t -139.22 149.47 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -88.81 127.35 35.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -114.14 108.4 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -83.04 116.19 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.783 HD21 ' O ' ' A' ' 37' ' ' ALA . 12.1 mt -89.84 158.16 45.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 71.96 4.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.0 38.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt 50.34 22.89 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -111.93 160.87 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.6 150.66 34.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -141.22 132.7 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.635 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.6 t -85.1 124.89 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.87 160.12 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.4 m -83.18 145.0 29.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.599 HG11 ' HB2' ' A' ' 71' ' ' ASP . 2.9 t -82.81 109.54 16.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.508 ' CB ' ' SD ' ' A' ' 28' ' ' MET . 5.2 mmt180 -105.58 159.57 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -136.05 43.46 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.42 41.94 0.24 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.508 ' SD ' ' CB ' ' A' ' 25' ' ' ARG . 14.8 ptm -164.74 159.02 18.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -79.66 177.23 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.479 HG13 HD23 ' A' ' 34' ' ' LEU . 34.9 t -79.07 -32.49 15.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASP . 9.4 t80 -60.68 -53.81 52.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -63.1 -24.42 67.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.464 ' CB ' HD13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -78.27 -61.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.807 HD12 HG21 ' A' ' 77' ' ' VAL . 4.1 mm? -72.37 -5.9 39.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.1 t70 -45.68 -63.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -54.86 -54.37 43.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.783 ' O ' HD21 ' A' ' 14' ' ' LEU . . . -39.84 -31.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.945 HD21 HG11 ' A' ' 77' ' ' VAL . 37.0 mt -90.76 -52.5 4.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -41.36 -49.59 3.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.5 p -50.34 -45.22 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HB2' HD12 ' A' ' 43' ' ' LEU . 20.2 mtp85 -95.45 17.14 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.27 27.09 3.69 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 41' ' ' ARG . 28.1 mt -76.79 -177.84 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 0.74 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -134.78 164.18 28.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.465 ' HG3' HD12 ' A' ' 38' ' ' LEU . 14.1 mp0 -100.21 35.52 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -125.69 -49.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.28 35.03 2.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 108.333 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 78' ' ' GLU . 78.9 m -140.98 147.74 39.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.556 HG13 ' CE1' ' A' ' 51' ' ' TYR . 2.4 p -134.68 147.1 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.69 ' HB ' HG22 ' A' ' 61' ' ' THR . 38.4 t -113.96 126.98 71.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.556 ' CE1' HG13 ' A' ' 49' ' ' VAL . 3.0 m-85 -102.95 138.82 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.493 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 12.0 mtm-85 -98.89 136.41 38.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 76' ' ' ILE . 1.3 mm? -80.95 102.83 10.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.493 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -125.29 94.78 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 62.83 35.84 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.81 47.04 42.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -144.79 111.17 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 103.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.431 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -103.63 101.78 11.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.44 HG13 HG23 ' A' ' 49' ' ' VAL . 59.5 t -39.16 147.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.69 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -127.79 164.49 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.411 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.869 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -95.06 157.83 15.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.626 ' CH2' HG23 ' A' ' 50' ' ' VAL . 91.3 m95 -85.92 -41.05 15.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 108.048 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -65.0 -28.92 69.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.869 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 43.7 m -46.71 168.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.397 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.454 ' N ' HG22 ' A' ' 65' ' ' THR . . . -96.19 169.49 9.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.72 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.1 tp -109.23 18.66 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.881 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -80.29 -56.23 0.72 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.881 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.03 56.03 4.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.431 1.753 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.731 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.8 mm? -133.13 -42.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.599 ' HB2' HG11 ' A' ' 24' ' ' VAL . 15.2 t0 -32.03 115.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.52 56.13 2.32 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -162.82 -169.88 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 7.1 mt-10 -146.49 122.46 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.627 HD22 HG12 ' A' ' 50' ' ' VAL . 57.1 mt -102.61 130.86 49.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 84.1 mt -110.33 113.13 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.945 HG11 HD21 ' A' ' 38' ' ' LEU . 61.2 t -88.92 128.65 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -137.54 167.29 21.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.433 HG22 HD22 ' A' ' 43' ' ' LEU . 70.1 t -102.91 130.66 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 22' ' ' VAL . 14.4 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.496 HG23 HG22 ' A' ' 24' ' ' VAL . 22.1 t -141.34 149.96 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.91 131.82 36.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.51 HG11 HD11 ' A' ' 34' ' ' LEU . 84.8 t -119.14 139.75 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -110.91 114.87 28.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.409 HD21 ' O ' ' A' ' 37' ' ' ALA . 17.1 mt -87.33 156.84 53.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.54 3.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.444 1.76 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.45 ' CG ' ' NH2' ' A' ' 41' ' ' ARG . 1.4 t-20 -156.6 25.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.9 mttt 62.48 13.43 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.34 165.9 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 4.1 ptt85 -145.05 156.9 44.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.6 t -139.45 144.61 38.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.3 t -93.13 122.19 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 23' ' ' THR . 54.6 t -109.91 165.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.484 ' N ' HG12 ' A' ' 22' ' ' VAL . 46.3 m -97.49 140.48 31.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 10' ' ' VAL . 1.6 t -86.72 109.63 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 4.4 mtp-105 -115.19 149.58 37.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -106.08 74.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.64 -57.83 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.545 ' CG ' HG21 ' A' ' 67' ' ' ILE . 14.2 ptm -58.1 166.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 7.7 m -102.51 -169.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -80.17 -35.92 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.602 ' CE2' ' CD ' ' A' ' 45' ' ' GLN . 8.0 t80 -67.46 -53.05 32.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.11 -14.56 38.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.492 ' OG ' ' CE ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -91.87 -60.85 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.757 HD12 HG21 ' A' ' 77' ' ' VAL . 4.1 mm? -72.22 -5.35 35.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 5.3 t70 -46.31 -63.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.41 ' O ' HG12 ' A' ' 40' ' ' VAL . 14.7 mmmt -59.4 -53.78 54.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.644 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -41.13 -32.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.857 HD21 HG11 ' A' ' 77' ' ' VAL . 21.5 mt -92.03 -54.24 3.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -48.06 -34.82 10.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.652 HG13 ' HG3' ' A' ' 41' ' ' ARG . 14.7 p -59.66 -32.74 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.652 ' HG3' HG13 ' A' ' 40' ' ' VAL . 2.9 mtt-85 -109.94 2.62 19.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 65.73 22.98 70.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.432 HD22 ' SG ' ' A' ' 48' ' ' CYS . 31.6 mt -70.71 162.69 28.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -102.7 160.51 14.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 31' ' ' TYR . 2.1 mp0 -97.01 22.46 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 80' ' ' LEU . 39.9 t0 -129.56 -43.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.0 m -91.28 20.08 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 108.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.445 ' SG ' HG22 ' A' ' 79' ' ' VAL . 71.9 m -137.5 147.52 45.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.453 HG22 ' CE1' ' A' ' 51' ' ' TYR . 1.5 p -132.9 159.41 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.731 ' HB ' HG22 ' A' ' 61' ' ' THR . 40.9 t -126.09 122.63 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.5 m-85 -101.09 139.7 36.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 17.6 mtp180 -102.97 133.78 47.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.24 103.19 7.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.9 mp -126.41 93.49 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.61 23.96 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.32 36.46 23.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.539 1.149 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -135.22 112.76 10.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.253 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 105.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 24.2 m -105.75 99.67 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.433 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -39.58 153.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.731 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.0 OUTLIER -135.91 151.02 49.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.656 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -79.77 162.11 25.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.462 ' CH2' HG23 ' A' ' 50' ' ' VAL . 95.9 m95 -89.48 -37.45 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 108.029 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.58 -32.48 72.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.656 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 17.1 m -46.05 171.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 65' ' ' THR . . . -100.39 163.54 12.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.621 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -104.21 10.08 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.853 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -69.85 -55.26 8.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.858 ' C ' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 54.78 3.75 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.574 1.829 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.858 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.4 mm? -144.12 24.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.52 123.11 22.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.67 76.77 0.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' OE2' HG11 ' A' ' 10' ' ' VAL . 2.8 pp20? -165.34 -167.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 4.4 mt-10 -150.01 117.02 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.363 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.484 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 4.4 mt -95.82 137.84 34.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 65.0 mt -113.9 114.36 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.857 HG11 HD21 ' A' ' 38' ' ' LEU . 58.8 t -92.42 125.01 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.515 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -133.03 169.75 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.445 HG22 ' SG ' ' A' ' 48' ' ' CYS . 43.6 t -104.79 133.72 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 46' ' ' ASP . 26.5 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.671 ' HB ' HG12 ' A' ' 21' ' ' VAL . 9.7 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.775 HG23 HG22 ' A' ' 24' ' ' VAL . 54.1 t -136.24 146.07 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -92.07 130.63 37.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.713 HG11 HD11 ' A' ' 34' ' ' LEU . 65.2 t -120.45 120.89 64.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -87.54 117.01 26.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.9 mt -89.14 159.56 44.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.54 4.29 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.407 ' C ' ' N ' ' A' ' 18' ' ' GLN . 1.9 t-20 173.85 40.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt 47.77 24.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' N ' ' C ' ' A' ' 16' ' ' ASN . 9.7 mt-30 -111.87 162.53 15.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.68 153.68 41.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.423 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.4 t -141.39 136.91 31.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.671 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.8 t -92.76 126.1 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 23' ' ' THR . 43.8 t -115.16 162.26 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.42 ' N ' HG12 ' A' ' 22' ' ' VAL . 81.2 m -89.37 133.38 34.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.775 HG22 HG23 ' A' ' 10' ' ' VAL . 1.8 t -83.18 109.8 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.92 174.38 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -134.16 49.16 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.35 44.25 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.511 ' CG ' HG21 ' A' ' 67' ' ' ILE . 15.5 ptm -169.09 163.12 11.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.0 p -92.98 -177.79 4.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.673 HG13 HD23 ' A' ' 34' ' ' LEU . 73.1 t -78.15 -28.85 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ASP . 32.2 t80 -62.85 -56.79 14.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -62.57 -27.0 68.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.53 -62.49 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.035 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.713 HD11 HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -68.21 -13.73 62.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.1 t70 -41.36 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.436 ' O ' HG12 ' A' ' 40' ' ' VAL . 1.4 ptmt -50.85 -44.47 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -47.02 -29.97 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.912 HD21 HG11 ' A' ' 77' ' ' VAL . 40.7 mt -91.58 -57.27 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 7.5 mmmm -44.59 -52.01 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 36' ' ' LYS . 14.1 p -38.08 -47.37 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.432 ' N ' HG13 ' A' ' 40' ' ' VAL . 26.0 mtp85 -87.9 -32.32 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.0 10.88 20.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.64 HD22 ' SG ' ' A' ' 48' ' ' CYS . 26.1 mt -67.85 178.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -131.77 159.72 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 35' ' ' ASP . 3.1 mp0 -94.42 41.69 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.656 ' O ' HD12 ' A' ' 80' ' ' LEU . 1.7 t70 -140.24 -47.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.429 ' O ' HG13 ' A' ' 79' ' ' VAL . 57.8 m -101.83 32.85 3.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.64 ' SG ' HD22 ' A' ' 43' ' ' LEU . 93.0 m -141.35 151.4 43.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 108.316 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.523 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.4 p -137.73 148.84 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.535 HG22 HG22 ' A' ' 77' ' ' VAL . 24.6 t -117.39 125.05 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.523 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.4 m-85 -104.22 140.28 38.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.524 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 6.9 mtm105 -105.51 134.44 48.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.464 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -81.66 103.73 11.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.553 HD13 HG21 ' A' ' 59' ' ' THR . 1.7 mp -123.53 107.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.54 -55.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.35 40.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.02 153.28 37.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.76 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -78.32 113.03 15.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.553 HG21 HD13 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -106.42 102.47 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.5 t -47.41 137.8 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.508 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.3 t -113.11 163.46 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.813 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -101.46 136.96 40.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.516 ' CH2' HG23 ' A' ' 50' ' ' VAL . 89.7 m95 -63.98 -26.41 68.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 108.015 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -72.76 -39.07 67.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.813 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 17.9 m -39.52 159.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 110.44 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.47 176.51 7.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.511 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.8 tp -117.36 2.87 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.868 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -76.95 -55.48 1.43 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.868 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.99 54.96 3.79 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.843 HD22 ' O ' ' A' ' 69' ' ' PRO . 2.1 mm? -148.72 26.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.85 128.3 35.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.2 71.87 0.86 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 3.0 pp20? -163.17 -173.55 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 2.8 mt-10 -149.36 130.73 14.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 4.7 mt -112.32 152.31 28.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.0 mt -119.0 113.65 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.912 HG11 HD21 ' A' ' 38' ' ' LEU . 60.2 t -94.37 123.46 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.424 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -134.14 172.32 13.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.501 HG22 HD22 ' A' ' 43' ' ' LEU . 91.0 t -99.17 132.43 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 46' ' ' ASP . 23.3 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.1 t -143.99 146.31 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HB2' ' OE2' ' A' ' 74' ' ' GLU . 17.8 mttt -89.49 128.8 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.63 HG11 HD11 ' A' ' 34' ' ' LEU . 77.5 t -117.25 112.36 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -81.4 115.28 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.488 HD13 ' HD2' ' A' ' 41' ' ' ARG . 10.0 mt -85.35 163.78 43.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.38 17.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -91.68 39.28 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? 44.26 27.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 16' ' ' ASN . 1.4 mt-30 -122.19 174.67 6.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.99 152.45 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.421 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.3 t -141.35 128.39 20.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -87.68 119.69 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.6 157.61 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.5 m -85.35 150.99 24.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.91 109.89 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.9 OUTLIER -117.39 93.0 4.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -54.65 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.255 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 164.5 -66.68 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.447 ' CG ' HG21 ' A' ' 67' ' ' ILE . 22.0 ptm -56.53 163.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -90.49 176.4 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.538 HG13 HD23 ' A' ' 34' ' ' LEU . 74.5 t -77.65 -29.1 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' ASP . 17.4 t80 -63.22 -57.89 8.98 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -60.87 -26.16 67.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.06 -62.57 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.718 HD12 HG21 ' A' ' 77' ' ' VAL . 3.2 mm? -65.72 -20.39 66.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.4 t0 -44.07 -57.05 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -61.02 -55.24 35.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.542 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -43.24 -27.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.975 HD21 HG11 ' A' ' 77' ' ' VAL . 25.7 mt -90.55 -58.61 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -43.34 -48.51 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.246 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.542 HG12 ' C ' ' A' ' 37' ' ' ALA . 7.3 p -39.54 -38.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.488 ' HD2' HD13 ' A' ' 14' ' ' LEU . 1.2 mtt85 -101.17 -28.01 12.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.48 9.48 29.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.737 HD22 ' SG ' ' A' ' 48' ' ' CYS . 18.5 mt -61.76 162.83 8.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -112.81 142.44 45.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.695 ' NE2' ' CZ3' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -86.17 45.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.08 -48.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.4 m -91.94 15.76 12.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 108.249 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.737 ' SG ' HD22 ' A' ' 43' ' ' LEU . 48.7 m -125.15 161.32 27.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 108.311 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.572 HG13 ' CE1' ' A' ' 51' ' ' TYR . 4.1 p -142.85 156.14 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.846 HG22 HG22 ' A' ' 77' ' ' VAL . 42.3 t -125.14 128.19 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 2.6 m-85 -107.28 142.15 37.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.656 ' HG2' HD23 ' A' ' 75' ' ' LEU . 37.1 mtm180 -119.03 140.51 49.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.66 98.97 9.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.833 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.4 mp -100.9 -63.48 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -123.8 49.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.77 20.3 68.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.84 137.49 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -60.55 98.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.833 ' HB ' HD13 ' A' ' 54' ' ' ILE . 4.0 m -95.4 99.38 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.433 HG13 HG23 ' A' ' 49' ' ' VAL . 77.3 t -48.37 153.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.492 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -126.54 156.91 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.712 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -84.61 152.09 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.695 ' CZ3' ' NE2' ' A' ' 45' ' ' GLN . 62.2 m95 -78.48 -26.47 46.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -92.35 35.13 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.712 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 88.2 m -104.67 165.12 11.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.69 161.14 15.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.447 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -110.47 18.1 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.076 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.88 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -79.74 -56.52 0.76 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.88 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 50.4 2.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.994 HD12 HD11 ' A' ' 75' ' ' LEU . 1.4 mm? -121.87 -41.0 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 70' ' ' LEU . 18.3 t0 -37.3 100.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 103.02 59.71 0.73 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.745 ' CD ' HD13 ' A' ' 70' ' ' LEU . 4.8 pt-20 -170.76 -177.01 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' OE2' ' HB2' ' A' ' 11' ' ' LYS . 6.3 mm-40 -140.88 131.66 25.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.994 HD11 HD12 ' A' ' 70' ' ' LEU . 1.3 mt -110.41 137.15 48.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 81.2 mt -115.61 109.4 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.975 HG11 HD21 ' A' ' 38' ' ' LEU . 94.1 t -91.78 115.08 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 18.5 mt-10 -134.14 145.85 49.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.91 136.11 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.7 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.652 ' HB ' HG12 ' A' ' 21' ' ' VAL . 3.8 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.8 t -138.17 147.94 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -90.79 130.26 36.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.966 HG11 HD11 ' A' ' 34' ' ' LEU . 64.9 t -119.18 112.83 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -81.99 118.77 23.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.773 HD13 ' HD2' ' A' ' 41' ' ' ARG . 11.2 mt -89.62 160.6 41.3 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 73.17 4.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER 173.98 41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt 48.3 24.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 16' ' ' ASN . 3.4 mt-30 -110.5 164.33 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.85 151.56 34.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.0 t -141.3 134.72 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.652 HG12 ' HB ' ' A' ' 9' ' ' THR . 2.8 t -87.75 131.09 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.5 t -121.35 155.91 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -83.46 147.79 27.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 71' ' ' ASP . 1.4 t -95.68 109.89 23.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -115.12 103.38 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.43 78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 175.98 -62.33 0.1 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.547 ' CG ' HG21 ' A' ' 67' ' ' ILE . 20.4 ptm -58.23 168.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.4 p -96.68 -174.21 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.6 t -80.61 -42.7 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.552 ' CE1' ' NE2' ' A' ' 45' ' ' GLN . 39.3 t80 -55.54 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.52 -24.37 31.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -52.88 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.966 HD11 HG11 ' A' ' 12' ' ' VAL . 4.3 mm? -86.86 17.18 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.7 t70 -73.28 -50.97 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -76.49 -49.8 15.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.544 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -39.45 -31.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.03 HD21 HG11 ' A' ' 77' ' ' VAL . 39.8 mt -88.84 -58.9 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 41' ' ' ARG . 11.4 mttt -44.05 -49.33 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.566 HG13 ' HG3' ' A' ' 41' ' ' ARG . 10.2 p -40.0 -30.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.773 ' HD2' HD13 ' A' ' 14' ' ' LEU . 3.0 mtt-85 -106.19 -31.33 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.74 3.3 18.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.794 HD22 ' SG ' ' A' ' 48' ' ' CYS . 23.3 mt -68.17 168.13 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -138.58 157.22 46.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.552 ' NE2' ' CE1' ' A' ' 31' ' ' TYR . 10.8 mp0 -86.66 44.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -125.52 -50.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 t -112.77 38.38 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.794 ' SG ' HD22 ' A' ' 43' ' ' LEU . 50.1 m -141.0 148.24 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.566 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 5.5 p -133.65 154.63 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.805 HG22 HG22 ' A' ' 77' ' ' VAL . 47.9 t -122.22 121.8 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.566 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.8 m-85 -100.11 139.74 35.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.702 ' HG2' HD23 ' A' ' 75' ' ' LEU . 27.5 mtm180 -114.34 138.73 50.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.25 93.81 9.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.578 HD13 HG21 ' A' ' 59' ' ' THR . 1.6 mp -95.48 -63.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.29 45.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.03 22.65 74.26 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.57 142.4 48.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -65.75 107.21 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.578 HG21 HD13 ' A' ' 54' ' ' ILE . 8.1 m -103.56 107.78 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.0 t -53.11 144.21 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.453 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -123.15 162.35 22.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.788 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -92.22 162.41 14.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.542 ' CH2' HG23 ' A' ' 50' ' ' VAL . 86.6 m95 -90.49 -19.21 24.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -96.33 25.26 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.788 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 5.5 m -98.44 163.43 12.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.36 155.06 19.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.767 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -101.13 16.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.874 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -78.04 -55.94 1.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.874 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.04 54.5 3.68 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.767 HD23 ' HA ' ' A' ' 67' ' ' ILE . 3.8 mm? -132.67 -42.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.537 ' HB2' HG11 ' A' ' 24' ' ' VAL . 52.7 t0 -34.49 105.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.08 54.54 1.18 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.5 ' OE2' HD12 ' A' ' 75' ' ' LEU . 1.3 pp20? -161.03 -169.01 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 7.2 mt-10 -147.73 123.71 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.254 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.702 HD23 ' HG2' ' A' ' 52' ' ' ARG . 1.2 mt -106.22 139.33 40.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 79.8 mt -116.9 110.91 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.03 HG11 HD21 ' A' ' 38' ' ' LEU . 86.3 t -91.71 126.89 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 48' ' ' CYS . 0.2 OUTLIER -139.06 172.0 13.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.508 HG22 ' SG ' ' A' ' 48' ' ' CYS . 62.3 t -98.76 134.46 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.401 ' HB ' HG12 ' A' ' 21' ' ' VAL . 16.1 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.1 t -140.25 144.2 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -92.05 129.51 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.428 HG11 ' CD1' ' A' ' 34' ' ' LEU . 17.5 t -114.57 112.73 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -83.51 116.09 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.8 HD13 ' HD2' ' A' ' 41' ' ' ARG . 6.7 mt -80.95 163.15 56.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.541 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 18.2 Cg_endo -75.02 92.89 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.777 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.541 ' ND2' ' O ' ' A' ' 15' ' ' PRO . 0.6 OUTLIER 158.31 -56.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 16' ' ' ASN . 0.3 OUTLIER 165.19 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -61.66 161.52 9.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -148.88 151.12 34.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 t -130.85 133.01 45.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.401 HG12 ' HB ' ' A' ' 9' ' ' THR . 0.6 OUTLIER -91.5 119.56 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.5 t -106.25 155.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.4 m -88.93 147.63 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.748 HG11 ' HB2' ' A' ' 71' ' ' ASP . 2.4 t -88.77 110.06 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -117.4 143.03 46.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.25 77.02 2.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.77 -57.38 0.17 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.608 ' CG ' HG21 ' A' ' 67' ' ' ILE . 16.4 ptm -58.06 162.42 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 13.4 p -106.08 175.53 5.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.487 HG13 HD23 ' A' ' 34' ' ' LEU . 77.2 t -64.8 -35.34 74.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' ASP . 78.9 t80 -64.04 -57.56 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.29 -20.36 62.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -62.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.76 HD12 HG21 ' A' ' 77' ' ' VAL . 3.5 mm? -66.76 -17.12 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.4 t70 -39.89 -71.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.721 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -53.47 -49.63 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.539 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -41.49 -32.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.965 HD21 HG11 ' A' ' 77' ' ' VAL . 10.2 mt -91.38 -60.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.5 mptt -40.64 -49.44 3.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 36' ' ' LYS . 5.1 p -38.08 -41.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.8 ' HD2' HD13 ' A' ' 14' ' ' LEU . 5.2 mtt-85 -101.56 -24.44 14.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 109.34 5.35 30.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.578 HD22 ' SG ' ' A' ' 48' ' ' CYS . 24.0 mt -64.9 152.75 42.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -109.37 159.4 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.607 ' OE1' ' CZ3' ' A' ' 63' ' ' TRP . 2.3 mm100 -96.95 41.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.14 -51.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.9 34.76 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.578 ' SG ' HD22 ' A' ' 43' ' ' LEU . 22.3 m -141.01 155.27 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.57 HG13 ' CE1' ' A' ' 51' ' ' TYR . 2.5 p -137.32 148.86 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.477 HG22 HG22 ' A' ' 77' ' ' VAL . 25.8 t -116.61 124.76 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE1' HG13 ' A' ' 49' ' ' VAL . 3.0 m-85 -103.43 141.21 36.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.663 ' HG2' HD23 ' A' ' 75' ' ' LEU . 44.2 mtm180 -116.77 146.33 42.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.42 98.03 11.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.869 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.8 mp -99.21 -70.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.457 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -118.48 52.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.55 36.49 93.27 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.59 139.28 21.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 0.8 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 108.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.869 ' HB ' HD13 ' A' ' 54' ' ' ILE . 2.2 m -105.92 103.07 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.557 HG13 HG23 ' A' ' 49' ' ' VAL . 75.5 t -52.07 148.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.87 164.18 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.367 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.717 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -88.45 161.7 16.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.607 ' CZ3' ' OE1' ' A' ' 45' ' ' GLN . 94.3 m95 -90.58 -38.41 13.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.013 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -67.94 -30.06 69.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.717 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 16.8 m -46.95 171.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.505 ' N ' HG22 ' A' ' 65' ' ' THR . . . -99.39 171.95 7.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.616 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.1 tp -109.92 17.05 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.878 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.2 -55.72 1.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.878 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 56.96 4.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.76 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.5 mm? -139.4 -43.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.748 ' HB2' HG11 ' A' ' 24' ' ' VAL . 65.1 t0 -28.96 114.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.96 60.15 1.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -165.5 -164.08 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 6.0 mt-10 -146.72 134.53 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.663 HD23 ' HG2' ' A' ' 52' ' ' ARG . 2.4 mt -115.28 133.07 56.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 82.0 mt -113.26 110.43 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.965 HG11 HD21 ' A' ' 38' ' ' LEU . 58.5 t -88.59 132.88 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.536 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -141.13 168.02 20.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.553 HG22 ' SG ' ' A' ' 48' ' ' CYS . 84.8 t -101.88 131.56 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 80' ' ' LEU . 16.6 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.547 ' HB ' HG12 ' A' ' 21' ' ' VAL . 12.2 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 t -139.11 149.18 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.74 129.73 39.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.421 ' HB ' HG22 ' A' ' 20' ' ' THR . 30.3 t -118.69 111.19 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -80.11 118.25 21.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.565 HD13 ' HD2' ' A' ' 41' ' ' ARG . 9.4 mt -91.17 160.75 36.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 77.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 16' ' ' ASN . 1.2 p30 168.06 42.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 46.39 25.52 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -111.99 163.85 13.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.22 152.78 37.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.421 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.7 t -138.76 133.29 31.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.547 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.6 t -89.32 124.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -114.73 158.25 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.4 m -86.07 148.52 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.364 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.808 HG11 ' HB2' ' A' ' 71' ' ' ASP . 2.5 t -89.3 110.21 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -108.9 -152.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.52 -46.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.06 56.39 2.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.66 ' CG ' HG21 ' A' ' 67' ' ' ILE . 13.1 ptm -178.13 162.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 94.5 p -105.11 -167.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.497 HG13 HD23 ' A' ' 34' ' ' LEU . 98.1 t -76.95 -38.43 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' ASP . 41.2 t80 -58.39 -59.26 5.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.32 -21.38 61.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.06 -62.66 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.652 HD12 HG21 ' A' ' 77' ' ' VAL . 3.5 mm? -67.67 -15.44 63.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.7 t70 -42.01 -55.92 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.549 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -63.36 -56.45 16.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.466 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -39.7 -30.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.933 HD21 HG11 ' A' ' 77' ' ' VAL . 36.0 mt -89.88 -66.47 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' LEU . 15.3 mttt -39.77 -52.76 2.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 36' ' ' LYS . 11.0 p -39.96 -45.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HD2' HD13 ' A' ' 14' ' ' LEU . 5.2 mtp-105 -87.16 -32.43 19.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.52 9.72 20.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.515 HD22 ' SG ' ' A' ' 48' ' ' CYS . 34.7 mt -69.08 -179.55 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -144.19 156.56 44.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -88.5 40.21 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -125.21 -44.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.522 ' O ' HG13 ' A' ' 79' ' ' VAL . 8.5 t -116.61 37.05 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.269 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.515 ' SG ' HD22 ' A' ' 43' ' ' LEU . 91.2 m -139.66 158.73 43.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.258 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.565 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.3 p -148.34 152.9 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.982 HG22 HG22 ' A' ' 77' ' ' VAL . 48.6 t -121.7 123.29 69.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE1' HG13 ' A' ' 49' ' ' VAL . 3.2 m-85 -101.9 140.28 36.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.757 ' HD2' HD21 ' A' ' 75' ' ' LEU . 8.2 mtm-85 -103.63 130.51 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -80.49 101.48 9.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.506 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.7 mp -118.51 96.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 54' ' ' ILE . 0.0 OUTLIER 84.13 -51.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.04 40.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -146.49 142.48 28.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.56 108.6 5.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.476 HG21 HD13 ' A' ' 54' ' ' ILE . 1.2 m -102.3 97.61 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.9 t -43.54 134.34 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.636 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.3 t -110.62 154.76 23.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.808 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -91.96 143.01 26.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.424 ' CH2' HG23 ' A' ' 50' ' ' VAL . 89.0 m95 -69.35 -19.4 63.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -80.0 -39.88 29.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.808 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 4.1 m -38.8 156.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 29' ' ' SER . . . -86.48 163.13 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.67 ' HA ' HD23 ' A' ' 70' ' ' LEU . 8.2 tp -95.74 -6.12 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.808 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -66.26 -52.83 35.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.808 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.96 58.55 4.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.713 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.4 mm? -139.78 -44.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.808 ' HB2' HG11 ' A' ' 24' ' ' VAL . 26.8 t70 -32.07 116.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.13 51.65 3.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -156.98 -166.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 11.0 mt-10 -150.1 114.83 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.757 HD21 ' HD2' ' A' ' 52' ' ' ARG . 20.7 mt -99.06 136.62 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 83.8 mt -114.86 109.38 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.982 HG22 HG22 ' A' ' 50' ' ' VAL . 95.4 t -91.69 111.6 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 25.5 mt-10 -127.54 149.85 49.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 47' ' ' CYS . 99.5 t -77.6 139.82 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.556 ' HB ' HG12 ' A' ' 21' ' ' VAL . 12.0 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.615 HG23 HG22 ' A' ' 24' ' ' VAL . 39.7 t -141.57 151.89 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -91.4 125.18 36.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.646 HG11 HD11 ' A' ' 34' ' ' LEU . 65.1 t -113.14 106.76 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -77.88 115.89 17.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.453 HD13 ' HE ' ' A' ' 41' ' ' ARG . 9.0 mt -86.11 164.57 38.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -5.36 16.69 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.505 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -92.05 34.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 11.1 pttt 49.03 23.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.13 178.0 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.51 151.24 41.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.5 t -138.24 129.74 27.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.556 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.8 t -83.8 126.61 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 23' ' ' THR . 57.3 t -116.93 162.33 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.439 ' N ' HG12 ' A' ' 22' ' ' VAL . 33.1 m -89.05 141.47 28.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.615 HG22 HG23 ' A' ' 10' ' ' VAL . 2.2 t -90.48 109.91 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -119.13 98.98 6.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.86 82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 170.61 -73.64 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.746 ' O ' HG22 ' A' ' 67' ' ' ILE . 17.7 ptm -46.29 153.21 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -80.01 175.58 10.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.1 t -74.84 -41.85 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ASP . 18.6 t80 -53.79 -55.64 24.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.67 -27.6 66.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -54.73 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.646 HD11 HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -83.59 11.83 6.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -69.85 -54.15 14.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.589 ' O ' HG12 ' A' ' 40' ' ' VAL . 15.7 mmmt -71.17 -48.12 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.545 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -42.37 -33.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.045 HD21 HG11 ' A' ' 77' ' ' VAL . 53.1 mt -90.0 -59.53 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -43.11 -48.23 6.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.7 p -40.54 -33.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.581 ' HG3' HG13 ' A' ' 40' ' ' VAL . 12.3 mtt-85 -103.98 -32.58 9.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.75 8.04 16.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.007 HD22 ' SG ' ' A' ' 48' ' ' CYS . 24.2 mt -66.38 148.53 51.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -101.92 155.27 18.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -89.25 39.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -140.78 -46.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 80' ' ' LEU . 5.4 m -93.18 22.35 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 1.007 ' SG ' HD22 ' A' ' 43' ' ' LEU . 57.9 m -141.13 144.39 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.55 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 3.6 p -127.33 157.63 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.668 ' HB ' HG22 ' A' ' 61' ' ' THR . 47.3 t -124.04 118.49 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.55 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.5 m-85 -98.88 139.85 33.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HG2' HD23 ' A' ' 75' ' ' LEU . 28.4 mtm-85 -98.5 136.69 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.29 102.43 12.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.4 mp -124.88 91.38 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.12 44.7 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.38 51.11 60.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -148.98 107.32 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -57.27 109.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.456 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.6 m -109.3 100.12 9.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.2 t -41.33 135.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.668 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -114.0 162.26 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.438 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.785 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -94.07 159.64 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.625 ' CH2' HG23 ' A' ' 50' ' ' VAL . 59.8 m95 -85.6 -34.76 21.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 107.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -90.89 48.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.785 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 88.6 m -119.09 163.62 16.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.93 143.59 26.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.746 HG22 ' O ' ' A' ' 28' ' ' MET . 0.6 OUTLIER -92.19 18.92 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.891 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -73.42 -57.76 2.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.891 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 51.03 2.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.831 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.7 mm? -130.02 -40.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' A' ' 70' ' ' LEU . 19.2 t0 -32.89 113.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.8 63.16 1.7 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.497 ' OE2' HD12 ' A' ' 75' ' ' LEU . 1.1 pp20? -166.74 -169.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.1 mt-10 -150.56 127.2 10.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.709 HD11 HD12 ' A' ' 70' ' ' LEU . 1.2 mt -109.14 148.62 30.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 95.2 mt -116.37 113.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.045 HG11 HD21 ' A' ' 38' ' ' LEU . 86.4 t -93.58 103.84 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -104.9 160.15 15.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 p -110.64 120.85 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' CYS . 70.5 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.659 ' HB ' HG12 ' A' ' 21' ' ' VAL . 6.9 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 24' ' ' VAL . 85.3 t -134.3 145.2 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 23.0 mttt -93.23 132.4 37.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.636 HG11 HD11 ' A' ' 34' ' ' LEU . 66.5 t -120.17 133.36 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -99.04 115.43 28.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.67 163.85 63.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.175 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 87.12 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 165.0 -57.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER 165.65 -29.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -63.66 163.45 11.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.55 157.31 44.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.8 t -135.56 143.43 45.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.659 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.8 t -97.1 126.38 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.61 158.26 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.3 m -89.81 135.4 33.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.363 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.817 HG22 HG23 ' A' ' 10' ' ' VAL . 2.0 t -82.7 109.82 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 16.1 mtp85 -115.01 169.25 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -123.76 81.94 1.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.35 -60.56 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.093 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.606 ' CG ' HG21 ' A' ' 67' ' ' ILE . 17.9 ptm -55.93 162.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.0 p -98.24 177.71 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.502 HG13 HD23 ' A' ' 34' ' ' LEU . 69.3 t -70.36 -33.97 56.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' ASP . 13.3 t80 -61.72 -57.59 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.1 -19.64 61.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.531 ' CB ' HD13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -84.24 -61.89 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.727 HD12 HG21 ' A' ' 77' ' ' VAL . 4.0 mm? -70.76 -7.02 41.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.3 t70 -48.92 -57.87 5.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.677 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -59.71 -56.99 14.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.528 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -38.75 -33.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.087 HD21 HG11 ' A' ' 77' ' ' VAL . 73.3 mt -90.23 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' LEU . 7.5 mttp -39.6 -50.63 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.6 p -39.47 -45.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.2 mtp180 -90.97 -31.13 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.59 10.49 23.24 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.82 HD22 ' SG ' ' A' ' 48' ' ' CYS . 19.5 mt -64.97 169.08 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -117.13 173.06 6.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -107.7 41.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.23 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -140.89 -51.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.8 m -94.65 28.01 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.82 ' SG ' HD22 ' A' ' 43' ' ' LEU . 64.2 m -141.22 143.01 33.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.316 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.563 HG13 ' CE1' ' A' ' 51' ' ' TYR . 7.2 p -125.76 159.7 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.7 ' HB ' HG22 ' A' ' 61' ' ' THR . 56.2 t -126.55 120.12 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.563 ' CE1' HG13 ' A' ' 49' ' ' VAL . 5.9 m-85 -100.56 141.0 34.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.935 ' HA ' HD23 ' A' ' 75' ' ' LEU . 8.9 mtm180 -100.55 132.41 45.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.428 HD21 ' CD1' ' A' ' 76' ' ' ILE . 1.1 mm? -79.85 105.28 11.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -126.95 95.32 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.01 37.57 11.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.32 46.66 62.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -144.94 110.41 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.786 . . . . 0.0 110.28 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HE3' ' CD1' ' A' ' 76' ' ' ILE . 12.9 mptt -57.96 110.88 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.454 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.2 m -108.48 99.77 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' THR . 53.1 t -40.28 143.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.7 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -127.15 163.37 23.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.866 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -100.84 157.8 16.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.55 ' CH2' HG23 ' A' ' 50' ' ' VAL . 86.0 m95 -81.8 -35.84 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -34.31 77.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.866 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 5.9 m -43.89 159.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.77 172.15 8.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.606 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.2 tp -110.52 5.92 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.665 ' N ' ' CD ' ' A' ' 69' ' ' PRO . . . -78.06 -42.25 2.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.873 ' C ' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 52.48 3.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.434 1.754 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.873 HD22 ' C ' ' A' ' 69' ' ' PRO . 4.0 mm? -136.23 -59.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.708 ' HA ' HG11 ' A' ' 24' ' ' VAL . 5.9 t70 58.0 -89.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -124.44 111.8 1.66 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.609 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -174.07 -166.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 2.2 mt-10 -145.84 140.92 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.935 HD23 ' HA ' ' A' ' 52' ' ' ARG . 7.1 mt -124.11 156.15 37.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.443 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 71.6 mt -119.14 116.74 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.087 HG11 HD21 ' A' ' 38' ' ' LEU . 88.6 t -93.2 103.7 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.428 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -102.41 159.27 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.3 p -114.15 117.15 54.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.7 ' HB ' HG12 ' A' ' 21' ' ' VAL . 8.0 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.917 HG23 HG22 ' A' ' 24' ' ' VAL . 90.1 t -138.57 141.92 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -88.0 131.04 34.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.507 HG11 ' CD1' ' A' ' 34' ' ' LEU . 73.2 t -116.92 116.25 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -89.2 111.28 22.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.749 HD13 ' HD2' ' A' ' 41' ' ' ARG . 11.8 mt -83.58 162.78 52.15 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -2.71 12.9 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.449 1.763 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.91 38.67 1.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? 44.83 27.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -122.02 169.57 10.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.32 149.94 40.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.8 t -141.52 133.81 28.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.7 HG12 ' HB ' ' A' ' 9' ' ' THR . 2.7 t -90.13 129.83 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.9 t -120.99 153.66 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 m -75.85 144.29 41.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.917 HG22 HG23 ' A' ' 10' ' ' VAL . 2.2 t -90.88 109.83 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.631 ' O ' HG23 ' A' ' 67' ' ' ILE . 0.7 OUTLIER -113.62 133.27 55.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -98.1 49.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.11 38.8 0.29 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.909 ' O ' HG22 ' A' ' 67' ' ' ILE . 17.3 ptm -167.81 148.97 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 0.788 . . . . 0.0 110.998 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -73.54 -171.92 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG13 HD23 ' A' ' 34' ' ' LEU . 72.4 t -87.52 -33.9 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' ASP . 57.0 t80 -56.93 -59.69 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.33 -25.15 61.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.45 -62.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.585 HD23 HG13 ' A' ' 30' ' ' VAL . 3.2 mm? -67.37 -10.78 54.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.9 t70 -48.52 -59.37 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.554 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -63.24 -54.66 33.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.506 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -39.66 -36.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.04 HD21 HG11 ' A' ' 77' ' ' VAL . 80.8 mt -90.14 -57.57 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -40.61 -50.77 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.1 p -39.36 -42.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.749 ' HD2' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -94.45 -31.55 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.87 6.88 22.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.659 HD22 ' SG ' ' A' ' 48' ' ' CYS . 25.3 mt -67.46 140.03 57.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -100.06 160.34 14.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -94.72 39.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.35 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.05 -45.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.6 t -109.68 35.71 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.246 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.659 ' SG ' HD22 ' A' ' 43' ' ' LEU . 23.5 m -140.92 144.28 35.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.524 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.5 p -129.93 150.04 34.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.628 ' HB ' HG22 ' A' ' 61' ' ' THR . 39.8 t -117.31 129.25 74.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.524 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 4.4 m-85 -107.98 140.83 40.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.674 ' HD2' HD21 ' A' ' 75' ' ' LEU . 9.8 mtm-85 -99.6 146.76 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.13 102.46 15.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -125.33 93.39 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.08 42.34 12.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.81 52.01 46.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -149.28 110.3 4.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 0.754 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 103.25 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.437 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 2.0 m -103.7 101.71 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.2 t -39.45 157.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.628 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -139.23 158.9 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.739 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -87.56 162.21 17.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -88.98 -24.98 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -93.43 34.15 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.739 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 15.5 m -104.46 160.26 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.68 152.36 23.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.909 HG22 ' O ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -101.04 19.87 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.879 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -79.02 -57.23 0.78 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.879 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 54.47 3.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.794 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.5 mm? -136.33 -43.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 70' ' ' LEU . 24.9 t0 -31.77 106.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.6 57.89 1.09 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -164.77 -165.55 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.4 mt-10 -154.3 124.51 6.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.674 HD21 ' HD2' ' A' ' 52' ' ' ARG . 19.9 mt -104.75 150.01 25.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.8 mt -118.46 116.35 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.04 HG11 HD21 ' A' ' 38' ' ' LEU . 98.3 t -93.94 127.78 45.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.493 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -136.74 169.45 17.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 110.316 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.6 HG22 ' SG ' ' A' ' 48' ' ' CYS . 42.1 t -102.09 134.81 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.636 ' HB ' HG12 ' A' ' 21' ' ' VAL . 3.3 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.3 t -139.39 145.2 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.6 132.02 37.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.95 HG11 HD11 ' A' ' 34' ' ' LEU . 89.0 t -120.63 115.03 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -81.38 118.53 22.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' A' ' 41' ' ' ARG . 11.5 mt -88.22 161.55 42.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.98 4.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -160.78 30.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt 57.07 17.53 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.05 170.44 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.242 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.9 154.36 41.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.409 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.7 t -138.17 134.18 34.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.636 HG12 ' HB ' ' A' ' 9' ' ' THR . 3.4 t -88.0 132.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 t -125.79 151.47 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.9 m -80.9 143.41 32.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' A' ' 71' ' ' ASP . 1.2 t -87.44 109.76 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.5 OUTLIER -111.78 128.38 56.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -86.26 73.78 10.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -179.61 -67.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.595 ' CG ' HG21 ' A' ' 67' ' ' ILE . 13.2 ptm -54.49 169.68 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 0.76 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 1.2 p -109.84 175.81 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.44 -41.47 92.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' ASP . 11.1 t80 -60.26 -54.59 43.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -18.27 57.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.7 -59.2 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.958 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.95 HD11 HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -74.51 -2.02 23.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' TYR . 4.6 t70 -53.36 -50.87 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.636 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -75.07 -54.29 7.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.506 ' CB ' HD13 ' A' ' 34' ' ' LEU . . . -38.31 -33.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.895 HD21 HG11 ' A' ' 77' ' ' VAL . 21.6 mt -87.9 -63.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.4 mttp -43.22 -53.27 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.636 HG12 ' O ' ' A' ' 36' ' ' LYS . 12.7 p -41.05 -42.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.429 ' HD2' HD13 ' A' ' 14' ' ' LEU . 22.7 mtp85 -87.98 -27.26 22.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 104.53 12.61 28.2 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.811 HD22 ' SG ' ' A' ' 48' ' ' CYS . 34.4 mt -73.79 171.5 13.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -122.04 169.39 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -99.16 39.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -142.45 -47.08 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' LEU . 11.2 p -93.67 23.02 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.811 ' SG ' HD22 ' A' ' 43' ' ' LEU . 78.7 m -141.36 145.81 35.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 108.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.602 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.1 p -135.69 156.4 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.892 HG22 HG22 ' A' ' 77' ' ' VAL . 57.7 t -120.8 125.04 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CE1' HG13 ' A' ' 49' ' ' VAL . 4.8 m-85 -104.47 137.29 42.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.526 ' HA ' HD23 ' A' ' 75' ' ' LEU . 4.3 mtm105 -95.53 143.71 26.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.41 99.44 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -119.98 93.67 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.7 34.55 12.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.98 49.11 23.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -146.12 110.73 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.25 108.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.2 m -110.25 99.15 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.513 HG13 ' CG2' ' A' ' 49' ' ' VAL . 97.2 t -40.42 141.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.59 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -124.31 138.2 54.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.595 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -69.91 159.37 33.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -81.71 -30.84 32.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 107.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.46 -24.93 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.595 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 3.8 m -48.36 159.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.393 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 29' ' ' SER . . . -98.31 169.46 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.763 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.5 tp -110.57 6.08 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.786 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.04 -52.75 1.84 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.1 Cg_endo -75.07 57.82 4.74 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.762 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.763 HD23 ' HA ' ' A' ' 67' ' ' ILE . 3.3 mm? -136.9 -54.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 6.0 t0 50.87 -92.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -114.75 121.32 5.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.57 -168.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -142.86 140.18 31.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.527 HD22 HG12 ' A' ' 50' ' ' VAL . 12.7 mt -125.77 140.11 52.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 94.9 mt -111.39 114.09 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.895 HG11 HD21 ' A' ' 38' ' ' LEU . 91.6 t -95.32 108.37 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.453 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -110.59 161.56 15.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 p -108.99 117.06 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 47' ' ' CYS . 46.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.588 ' HB ' HG12 ' A' ' 21' ' ' VAL . 2.5 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.425 HG23 HG22 ' A' ' 24' ' ' VAL . 24.9 t -140.02 149.01 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -91.55 129.59 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.5 HG11 ' CD1' ' A' ' 34' ' ' LEU . 71.7 t -116.32 112.65 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -84.17 116.42 22.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.451 HD21 ' O ' ' A' ' 37' ' ' ALA . 10.9 mt -88.68 159.15 47.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 70.36 5.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.5 t-20 175.01 51.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER 38.73 30.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' ASN . 2.1 mt-30 -118.14 159.97 22.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.57 150.57 34.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 t -141.19 134.02 28.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.368 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.588 HG12 ' HB ' ' A' ' 9' ' ' THR . 2.2 t -86.48 133.43 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -124.89 160.2 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 m -77.4 156.58 31.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 71' ' ' ASP . 8.9 t -97.64 109.64 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.555 ' O ' HG23 ' A' ' 67' ' ' ILE . 1.0 OUTLIER -108.33 149.33 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -121.03 79.68 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.03 -63.9 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.572 ' O ' HG22 ' A' ' 67' ' ' ILE . 12.9 ptm -54.51 162.42 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -85.7 177.79 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.49 HG13 HD23 ' A' ' 34' ' ' LEU . 73.8 t -77.05 -32.9 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 35' ' ' ASP . 13.1 t80 -59.55 -56.56 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.52 -24.54 66.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.503 ' CB ' HD13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -78.08 -60.31 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.688 HD12 HG21 ' A' ' 77' ' ' VAL . 4.0 mm? -74.14 -3.05 27.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 31' ' ' TYR . 5.9 t0 -52.03 -53.08 46.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -65.82 -56.56 11.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' O ' HD21 ' A' ' 14' ' ' LEU . . . -38.3 -32.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.036 HD21 HG11 ' A' ' 77' ' ' VAL . 52.9 mt -89.58 -62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' GLY . 15.0 mttt -39.56 -53.55 2.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 36' ' ' LYS . 14.7 p -39.0 -45.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' LEU . 22.3 mtp85 -88.92 -27.54 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 103.68 10.58 35.03 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.694 HD22 ' SG ' ' A' ' 48' ' ' CYS . 24.8 mt -65.05 177.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -130.7 157.81 41.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 35' ' ' ASP . 9.9 mp0 -92.37 40.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -138.26 -50.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.6 m -98.01 30.96 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.694 ' SG ' HD22 ' A' ' 43' ' ' LEU . 81.3 m -140.99 151.87 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 108.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.61 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.3 p -136.64 155.04 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.51 ' HB ' HG22 ' A' ' 61' ' ' THR . 26.0 t -121.82 129.76 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.61 ' CE1' HG13 ' A' ' 49' ' ' VAL . 2.7 m-85 -109.14 143.1 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG2' HD23 ' A' ' 75' ' ' LEU . 37.4 mtm180 -115.15 141.4 48.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.593 HD21 ' HD2' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -90.54 96.47 10.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.691 HD13 HG21 ' A' ' 59' ' ' THR . 1.5 mp -98.55 -72.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -107.81 37.86 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.63 33.04 58.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.2 144.33 34.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.299 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.593 ' HD2' HD21 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.23 97.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.691 HG21 HD13 ' A' ' 54' ' ' ILE . 29.3 m -97.45 97.7 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.9 t -44.16 156.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.51 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -138.33 155.87 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.676 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -83.75 162.49 20.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.499 ' CH2' HG23 ' A' ' 50' ' ' VAL . 94.3 m95 -88.68 -44.05 10.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.28 -25.5 65.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.676 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 18.9 m -48.8 170.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 65' ' ' THR . . . -97.67 169.68 9.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.605 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.1 tp -106.83 7.75 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.879 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -71.99 -55.6 5.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.879 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -74.95 57.02 4.4 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.534 1.808 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.774 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.5 mm? -140.79 -44.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.8 t0 -29.08 120.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.46 58.27 2.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.548 ' OE2' HD12 ' A' ' 75' ' ' LEU . 2.2 pp20? -162.14 -169.25 2.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 11.2 mt-10 -147.42 113.94 5.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.573 HD23 ' HG2' ' A' ' 52' ' ' ARG . 1.5 mt -95.18 139.4 31.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 76.6 mt -114.82 113.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.036 HG11 HD21 ' A' ' 38' ' ' LEU . 69.6 t -91.39 130.97 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.35 172.0 13.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.0 t -100.61 132.17 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.505 HD21 ' HB ' ' A' ' 49' ' ' VAL . 8.9 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.72 117.4 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.047 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.08 86.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.58 74.42 2.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -135.6 128.25 30.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 110.058 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.6 119.18 18.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.81 -139.68 2.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.522 ' O ' HG23 ' A' ' 9' ' ' THR . . . -119.13 65.91 0.4 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -154.6 172.45 17.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 110.417 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.582 HG23 HG22 ' A' ' 24' ' ' VAL . 9.4 t -142.05 147.76 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 28.4 mttt -96.94 131.14 44.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.437 HG11 ' CD1' ' A' ' 34' ' ' LEU . 24.7 t -116.11 121.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -94.95 112.33 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.447 HD21 ' O ' ' A' ' 37' ' ' ALA . 12.8 mt -85.69 162.66 46.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HG2' HD11 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.02 -6.75 18.43 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.567 ' CB ' ' CZ ' ' A' ' 41' ' ' ARG . 1.3 t-20 -91.39 39.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 43.1 28.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 16' ' ' ASN . 2.9 mt-30 -122.33 168.7 11.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -141.89 151.37 42.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 t -140.97 135.06 30.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 2.9 t -91.88 131.85 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 23' ' ' THR . 22.5 t -122.3 162.89 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.419 ' N ' HG12 ' A' ' 22' ' ' VAL . 40.9 m -86.88 141.44 28.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.582 HG22 HG23 ' A' ' 10' ' ' VAL . 1.8 t -87.95 110.09 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 19.9 mtp85 -110.83 153.13 25.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -108.23 69.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -179.85 -59.99 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.562 ' O ' HG22 ' A' ' 67' ' ' ILE . 11.8 ptm -56.22 165.03 1.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 0.753 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.8 p -101.89 -173.76 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -76.93 -34.22 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 38.4 t80 -64.24 -57.02 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.1 -16.83 48.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.01 -62.16 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.834 HD12 HG21 ' A' ' 77' ' ' VAL . 3.9 mm? -69.36 -10.26 57.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.6 t70 -44.18 -70.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' O ' HG12 ' A' ' 40' ' ' VAL . 8.2 mmmm -55.4 -49.73 71.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.551 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -40.12 -30.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.96 HD21 HG11 ' A' ' 77' ' ' VAL . 37.3 mt -90.39 -59.38 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' VAL . 28.3 mmtt -43.67 -48.28 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.559 HG13 ' HG3' ' A' ' 41' ' ' ARG . 7.3 p -39.85 -31.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CZ ' ' CB ' ' A' ' 16' ' ' ASN . 3.3 mtt-85 -108.74 -30.58 8.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.2 5.01 23.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.886 HD22 ' SG ' ' A' ' 48' ' ' CYS . 21.3 mt -60.58 -177.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -152.01 157.32 41.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -88.28 41.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.67 -43.88 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.1 t -119.71 38.37 3.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.886 ' SG ' HD22 ' A' ' 43' ' ' LEU . 95.4 m -141.04 152.21 44.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.615 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 3.5 p -137.33 155.53 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.754 ' HB ' HG22 ' A' ' 61' ' ' THR . 42.2 t -122.61 126.45 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.615 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 4.5 m-85 -107.24 142.85 36.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.542 ' HA ' HD23 ' A' ' 75' ' ' LEU . 10.6 mtm180 -102.07 152.23 21.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -94.32 103.03 15.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.3 mp -127.7 108.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? 57.16 24.18 9.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.73 46.72 7.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -143.74 125.63 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 97.11 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -97.87 104.99 17.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.436 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -40.32 151.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.754 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.1 t -130.95 161.01 32.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.849 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -92.84 161.9 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.521 ' CH2' HG23 ' A' ' 50' ' ' VAL . 92.8 m95 -88.72 -41.9 12.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -63.03 -32.48 73.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.849 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 95.9 m -45.03 165.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.55 162.14 13.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.625 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -104.51 -1.68 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.862 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -60.63 -55.14 47.86 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.862 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.97 55.33 3.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.797 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.0 mm? -145.23 34.06 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 71' ' ' ASP . 4.5 t0 -74.66 118.13 17.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.1 83.38 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -170.26 -170.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 110.344 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 4.6 mt-10 -153.85 133.66 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 52' ' ' ARG . 9.9 mt -112.08 149.78 31.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 89.1 mt -116.07 114.33 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.96 HG11 HD21 ' A' ' 38' ' ' LEU . 58.2 t -96.06 116.92 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.461 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -124.72 172.13 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.7 t -101.02 129.39 52.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.88 112.55 2.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.4 t -166.03 156.29 12.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.062 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 133.44 156.25 7.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 96.15 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.86 -57.36 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.05 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.06 108.61 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.93 166.25 32.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.944 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -40.15 153.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.963 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.42 -179.28 6.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 t -172.87 -54.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m 60.11 97.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.05 73.2 1.16 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.5 56.32 0.5 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 23' ' ' THR . 5.9 p -148.86 178.97 8.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.368 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.507 HG23 HG22 ' A' ' 24' ' ' VAL . 39.2 t -145.08 146.4 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HG3' HG13 ' A' ' 21' ' ' VAL . 6.1 mttt -92.68 131.05 38.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.742 HG11 HD11 ' A' ' 34' ' ' LEU . 76.7 t -116.01 120.92 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -90.5 111.17 22.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 mt -83.64 164.75 43.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.67 20.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -89.65 42.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt 40.1 29.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' ASN . 3.6 mt-30 -123.38 169.56 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 150.36 43.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.248 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -139.77 131.27 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.429 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.458 HG13 ' HG3' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -90.22 120.82 39.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.59 160.33 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.409 ' HA ' HG22 ' A' ' 9' ' ' THR . 53.9 m -87.27 140.7 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.507 HG22 HG23 ' A' ' 10' ' ' VAL . 2.2 t -83.0 109.3 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 2.1 mtt180 -106.6 155.52 19.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -116.36 84.94 2.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.49 -66.18 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.734 ' HG3' HG21 ' A' ' 67' ' ' ILE . 8.3 ptm -58.3 176.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -111.58 176.08 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 66' ' ' ALA . 92.9 t -63.73 -38.28 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.64 ' CD2' ' OE1' ' A' ' 45' ' ' GLN . 11.1 t80 -60.24 -56.23 24.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.15 -23.91 66.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.02 -62.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.742 HD11 HG11 ' A' ' 12' ' ' VAL . 3.6 mm? -68.42 -11.83 60.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' TYR . 6.4 t70 -45.14 -60.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.429 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -63.06 -55.43 25.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.532 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -39.33 -33.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.864 HD21 HG11 ' A' ' 77' ' ' VAL . 54.2 mt -90.98 -58.95 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -39.57 -49.22 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 37' ' ' ALA . 7.4 p -39.12 -44.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' LEU . 4.5 mtt-85 -96.46 -26.98 15.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.51 16.42 22.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.442 1.089 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.904 HD22 ' SG ' ' A' ' 48' ' ' CYS . 18.7 mt -65.66 126.14 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.795 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.4 134.69 36.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.64 ' OE1' ' CD2' ' A' ' 31' ' ' TYR . 14.4 mt-30 -77.48 56.59 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -155.31 -45.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.2 m -92.53 16.35 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.904 ' SG ' HD22 ' A' ' 43' ' ' LEU . 53.4 m -133.86 147.34 51.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.33 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.517 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.7 p -128.57 160.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.619 ' HB ' HG22 ' A' ' 61' ' ' THR . 40.9 t -126.17 129.3 72.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.54 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.8 m-85 -109.52 140.2 43.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.674 ' HA ' HD23 ' A' ' 75' ' ' LEU . 10.0 mtm-85 -95.6 138.86 32.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.53 100.2 11.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.496 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -122.73 93.41 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.04 39.46 13.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.95 50.35 47.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -146.84 106.86 3.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.45 103.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.3 m -104.02 101.68 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' THR . 99.3 t -39.5 135.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.619 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -114.23 159.56 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.75 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -99.84 135.95 40.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.604 ' CE3' ' OE1' ' A' ' 45' ' ' GLN . 95.0 m95 -59.75 -43.33 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 108.003 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' THR . 22.7 m-20 -54.29 -39.6 67.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.75 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 8.0 m -38.51 155.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -85.62 178.22 7.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.77 ' HA ' HD23 ' A' ' 70' ' ' LEU . 2.4 tp -120.07 9.67 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.901 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.97 -56.1 1.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.06 55.17 3.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.77 HD23 ' HA ' ' A' ' 67' ' ' ILE . 3.1 mm? -137.8 32.88 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -78.79 125.25 29.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.088 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.86 78.6 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 2.4 pp20? -161.84 -176.3 5.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 2.4 mt-10 -151.8 115.04 4.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' A' ' 52' ' ' ARG . 10.3 mt -97.15 150.47 20.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.6 mt -117.88 111.94 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.864 HG11 HD21 ' A' ' 38' ' ' LEU . 43.8 t -94.2 110.25 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.54 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.4 mt-10 -110.97 161.4 15.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 p -109.46 124.36 66.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.03 -59.11 4.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t 70.85 -61.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 171.27 173.08 38.02 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 72.68 4.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m 60.64 82.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.81 115.65 25.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 110.05 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.426 1.078 . . . . 0.0 111.008 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.05 -58.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.84 125.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.44 -163.48 13.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.08 87.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 0.773 . . . . 0.0 110.047 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.39 170.23 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.45 -118.83 1.61 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.67 57.58 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.575 ' HB ' HG12 ' A' ' 21' ' ' VAL . 13.8 p -152.09 175.79 12.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.452 HG23 HG22 ' A' ' 24' ' ' VAL . 53.1 t -140.6 152.64 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -91.99 127.91 37.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 19' ' ' ARG . 25.3 t -114.5 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -89.7 110.78 21.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.493 HD13 ' HD2' ' A' ' 41' ' ' ARG . 8.7 mt -82.72 164.14 48.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -8.04 19.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -91.16 40.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 42.05 28.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 16' ' ' ASN . 2.2 mt-30 -121.89 170.58 9.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -140.96 151.05 43.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 t -141.44 136.71 31.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.575 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.6 t -87.21 124.43 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.6 t -111.17 156.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.3 m -89.53 138.29 31.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.69 HG12 ' OD1' ' A' ' 26' ' ' ASP . 1.4 t -88.55 110.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -96.8 -29.97 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.69 ' OD1' HG12 ' A' ' 24' ' ' VAL . 25.2 m-20 60.51 115.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.64 -61.26 0.58 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.414 ' SD ' ' HB2' ' A' ' 25' ' ' ARG . 20.8 ptm -55.92 165.74 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -76.46 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.525 HG13 HD23 ' A' ' 34' ' ' LEU . 58.2 t -83.19 -26.85 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 21.8 t80 -61.3 -59.42 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -61.26 -25.14 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.78 -62.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.791 HD12 HG21 ' A' ' 77' ' ' VAL . 4.2 mm? -70.28 -9.78 57.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.5 t70 -46.65 -71.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.75 -52.7 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.536 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -41.96 -30.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.041 HD21 HG11 ' A' ' 77' ' ' VAL . 49.1 mt -91.88 -55.82 3.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.0 mmmt -43.42 -47.65 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 37' ' ' ALA . 7.3 p -39.07 -34.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.506 ' HG3' HG13 ' A' ' 40' ' ' VAL . 1.9 mtt85 -107.72 -27.36 10.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.67 9.24 33.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.421 1.075 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.91 HD22 ' SG ' ' A' ' 48' ' ' CYS . 16.3 mt -57.94 159.14 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -108.0 156.85 18.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.411 ' HG3' HD12 ' A' ' 38' ' ' LEU . 14.7 mp0 -94.74 40.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.94 -47.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.1 m -95.58 27.13 3.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.91 ' SG ' HD22 ' A' ' 43' ' ' LEU . 86.5 m -141.07 149.15 41.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 108.266 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.562 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.6 p -133.73 163.54 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.536 ' HB ' HG22 ' A' ' 61' ' ' THR . 40.2 t -128.73 124.84 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.2 m-85 -105.88 142.57 35.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.7 ' HG2' HD23 ' A' ' 75' ' ' LEU . 18.9 mtm180 -120.43 137.3 54.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 100.28 9.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.73 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.1 mp -100.73 -66.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.489 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -120.86 49.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.25 21.02 71.81 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -132.81 140.25 47.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.99 98.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.73 ' HB ' HD13 ' A' ' 54' ' ' ILE . 11.8 m -95.64 100.04 11.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.423 HG13 HG23 ' A' ' 49' ' ' VAL . 75.2 t -47.46 159.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.536 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.1 t -133.16 159.09 41.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.902 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -90.17 147.92 23.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.401 ' CH2' HG23 ' A' ' 50' ' ' VAL . 89.2 m95 -73.87 -24.3 59.72 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -78.85 -35.69 43.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.902 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 33.5 m -40.47 161.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.12 158.96 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.684 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -97.84 18.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.86 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -78.71 -55.75 0.98 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.86 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 55.06 3.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.6 mm? -137.66 -43.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.505 ' HB2' HG11 ' A' ' 24' ' ' VAL . 15.3 t70 -32.69 110.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.84 57.32 1.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.599 ' OE2' HD12 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -161.87 -167.86 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.777 . . . . 0.0 110.277 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.9 mt-10 -148.23 120.16 8.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.7 HD23 ' HG2' ' A' ' 52' ' ' ARG . 1.2 mp -102.87 147.07 27.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 92.0 mt -118.3 111.09 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.041 HG11 HD21 ' A' ' 38' ' ' LEU . 57.2 t -91.87 113.8 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.7 mt-10 -115.27 161.54 18.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 p -110.57 121.9 64.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.84 122.08 13.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.85 102.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.52 155.09 8.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.25 25.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.2 p -124.32 157.79 34.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.06 -58.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 52.13 87.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -141.48 158.2 44.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.008 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.49 151.8 20.0 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -46.2 122.27 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.728 . . . . 0.0 110.002 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t 178.95 97.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 110.003 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.76 -73.23 0.64 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.34 58.56 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.716 ' HB ' HG12 ' A' ' 21' ' ' VAL . 13.3 p -150.23 173.71 13.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.684 HG23 HG22 ' A' ' 24' ' ' VAL . 89.3 t -138.4 141.45 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -85.36 125.53 33.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 19' ' ' ARG . 25.3 t -111.33 113.11 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -83.7 114.03 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.587 HD13 ' HD2' ' A' ' 41' ' ' ARG . 9.6 mt -87.71 158.72 50.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HG2' HD11 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.0 70.69 5.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.5 t-20 174.72 51.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER 38.5 31.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 16' ' ' ASN . 6.2 mt-30 -118.7 158.99 24.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 3.7 ptt180 -145.3 150.83 37.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -141.11 129.1 21.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.716 HG12 ' HB ' ' A' ' 9' ' ' THR . 2.2 t -84.11 128.84 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.52 156.57 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.4 m -83.54 143.52 30.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.684 HG22 HG23 ' A' ' 10' ' ' VAL . 1.9 t -92.45 109.55 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -114.18 111.17 21.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -71.7 64.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.17 -52.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.55 ' O ' HG22 ' A' ' 67' ' ' ILE . 14.6 ptm -67.1 164.95 16.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 0.725 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -97.86 177.68 5.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -72.98 -43.2 59.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' ASP . 55.2 t80 -55.25 -55.74 27.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -60.05 -23.4 63.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.11 -62.39 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.66 HD12 HG21 ' A' ' 77' ' ' VAL . 3.4 mm? -67.09 -10.97 55.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' TYR . 9.1 t0 -49.18 -52.08 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.536 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -74.28 -50.58 18.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.531 ' CB ' HD13 ' A' ' 34' ' ' LEU . . . -39.68 -30.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.007 HD21 HG11 ' A' ' 77' ' ' VAL . 60.0 mt -90.95 -57.76 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -40.73 -51.3 3.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 36' ' ' LYS . 5.3 p -38.61 -42.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.587 ' HD2' HD13 ' A' ' 14' ' ' LEU . 2.9 mtt-85 -96.13 -25.01 16.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 103.51 9.33 38.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.592 HD22 ' SG ' ' A' ' 48' ' ' CYS . 25.8 mt -67.17 160.95 25.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -121.07 163.27 18.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -95.01 41.39 1.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.91 -52.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 t -105.94 37.2 2.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.592 ' SG ' HD22 ' A' ' 43' ' ' LEU . 92.7 m -140.55 160.33 40.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 108.343 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.586 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.6 p -150.08 152.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.77 HG22 HG22 ' A' ' 77' ' ' VAL . 27.4 t -120.21 126.11 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.586 ' CE1' HG13 ' A' ' 49' ' ' VAL . 3.2 m-85 -104.99 143.47 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.524 ' NH1' HD11 ' A' ' 70' ' ' LEU . 6.3 mtm180 -102.64 140.94 36.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.46 105.42 14.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -126.53 94.31 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.3 37.32 11.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.13 51.92 30.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -150.98 110.29 3.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.35 110.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.465 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.1 m -111.63 97.58 6.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.467 HG13 ' CG2' ' A' ' 49' ' ' VAL . 65.3 t -39.49 149.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.492 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -125.97 163.74 22.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.882 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -91.19 162.63 14.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.53 ' CH2' HG23 ' A' ' 50' ' ' VAL . 90.6 m95 -91.74 -20.47 21.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.06 21.21 8.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.882 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 13.9 m -96.46 159.26 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.54 154.07 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.701 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -101.74 16.85 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.881 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.13 -55.83 1.33 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.881 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -74.94 55.18 3.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.866 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.4 mm? -141.24 36.73 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.47 99.44 8.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.52 86.81 0.97 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.571 ' OE2' HG11 ' A' ' 10' ' ' VAL . 2.3 pp20? -170.04 -167.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -152.41 119.9 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.753 HD22 HG12 ' A' ' 50' ' ' VAL . 46.3 mt -97.34 137.52 36.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.1 mt -114.13 109.84 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.007 HG11 HD21 ' A' ' 38' ' ' LEU . 62.1 t -93.0 110.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 20.6 mt-10 -125.02 150.04 47.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.72 139.92 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.5 mt -73.44 137.03 44.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m 61.98 138.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.954 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.34 96.22 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -47.36 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.88 152.33 37.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.46 98.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -62.63 -58.38 7.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 0.773 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -53.23 130.53 34.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.033 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.47 -134.6 1.71 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 t 62.98 136.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 0.737 . . . . 0.0 109.955 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.7 p -70.67 102.17 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.15 157.77 28.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.447 ' O ' HG23 ' A' ' 9' ' ' THR . . . 79.76 63.59 1.98 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.746 ' HB ' HG12 ' A' ' 21' ' ' VAL . 7.6 p -153.43 169.46 23.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.694 HG21 ' O ' ' A' ' 70' ' ' LEU . 71.0 t -136.86 139.19 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -85.26 125.98 33.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG11 HD11 ' A' ' 34' ' ' LEU . 56.9 t -112.46 110.86 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -78.39 117.16 19.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 mt -89.22 160.38 42.87 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 70.39 5.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 18' ' ' GLN . 2.3 t30 174.04 51.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 38.61 31.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' ASN . 3.6 mt-30 -118.07 163.81 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.91 150.3 32.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.409 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.8 t -138.96 126.74 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.384 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.746 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.5 t -83.98 124.53 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 t -117.51 151.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.8 m -72.93 151.5 41.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.737 HG11 ' HA ' ' A' ' 71' ' ' ASP . 2.1 t -98.59 109.79 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.68 -157.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -146.73 -48.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.23 58.05 2.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.468 ' CE ' ' OG ' ' A' ' 33' ' ' SER . 19.3 ptm -177.3 158.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 0.724 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 p -99.98 -176.72 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.951 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.714 HG13 HD23 ' A' ' 34' ' ' LEU . 72.6 t -74.15 -33.59 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 17.3 t80 -59.66 -59.27 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.04 -22.75 66.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.468 ' OG ' ' CE ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -78.89 -62.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.714 HD23 HG13 ' A' ' 30' ' ' VAL . 3.8 mm? -68.3 -14.57 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 6.0 t0 -41.98 -57.3 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.66 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -63.03 -58.46 7.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.516 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -39.39 -30.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.909 HD21 HG11 ' A' ' 77' ' ' VAL . 25.3 mt -89.08 -63.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' GLY . 13.4 mttt -39.53 -52.5 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.66 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.5 p -39.2 -48.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 16' ' ' ASN . 25.1 mtp180 -87.84 -24.61 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 99.96 12.53 39.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.911 HD22 ' SG ' ' A' ' 48' ' ' CYS . 34.1 mt -68.27 167.61 14.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.795 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -117.59 172.63 7.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.2 mp0 -103.72 42.58 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.76 -46.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.2 m -93.33 21.98 5.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.282 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.911 ' SG ' HD22 ' A' ' 43' ' ' LEU . 82.2 m -141.12 157.31 45.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 108.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.587 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 3.4 p -141.38 160.56 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.641 ' HB ' HG22 ' A' ' 61' ' ' THR . 21.4 t -128.04 124.07 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.587 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 3.4 m-85 -105.12 142.63 34.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.507 ' HG2' HD23 ' A' ' 75' ' ' LEU . 42.2 mtp180 -109.89 133.2 53.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.443 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -78.32 105.13 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 59' ' ' THR . 1.7 mp -123.61 101.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 54' ' ' ILE . 0.0 OUTLIER 82.78 -53.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.15 40.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -149.67 143.95 25.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 0.754 . . . . 0.0 110.353 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -71.14 110.12 5.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 15.9 m -105.53 95.54 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.6 t -43.01 148.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.641 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -124.09 156.07 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.832 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -88.45 145.61 25.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.537 ' CH2' HG23 ' A' ' 50' ' ' VAL . 84.4 m95 -71.06 -19.81 62.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.03 29.04 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.832 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 1.9 m -102.59 151.27 22.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.65 160.56 29.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.604 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -113.29 22.9 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.929 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -79.84 -58.67 0.6 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 1.005 ' C ' HD22 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.02 51.23 2.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.005 HD22 ' C ' ' A' ' 69' ' ' PRO . 2.2 mm? -141.89 30.13 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.737 ' HA ' HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -59.26 -75.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.51 96.55 1.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.545 ' OE2' HD12 ' A' ' 75' ' ' LEU . 1.7 pp20? -169.71 -173.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 5.1 mt-10 -147.33 113.66 5.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.545 HD12 ' OE2' ' A' ' 73' ' ' GLU . 1.1 mt -91.67 143.16 26.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 61.4 mt -117.35 113.01 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.909 HG11 HD21 ' A' ' 38' ' ' LEU . 49.3 t -93.62 113.44 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.8 mt-10 -115.05 161.43 18.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 p -111.53 119.31 59.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.1 mt -58.16 103.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.33 168.74 4.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.98 151.88 6.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 84' ' ' SER . 18.2 Cg_endo -75.04 69.77 5.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.7 OUTLIER 161.08 152.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.976 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.18 165.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -63.2 120.11 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -137.36 -58.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.022 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.28 -65.96 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.41 -59.07 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 0.752 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 m 61.63 169.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.24 175.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.75 61.46 4.51 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.789 ' HB ' HG12 ' A' ' 21' ' ' VAL . 9.7 p -152.07 171.72 17.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.407 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.811 HG23 HG22 ' A' ' 24' ' ' VAL . 93.3 t -138.13 143.47 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -84.5 126.22 33.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.562 HG11 ' CD1' ' A' ' 34' ' ' LEU . 55.2 t -115.3 112.46 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -82.57 115.5 21.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.955 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD13 ' HD2' ' A' ' 41' ' ' ARG . 9.8 mt -86.15 164.62 37.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -5.23 16.54 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.787 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.497 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -92.42 34.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 37.0 pttt 49.17 23.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -117.56 177.34 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 151.31 38.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -140.36 132.82 28.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.431 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.789 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.4 t -87.19 123.41 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 23' ' ' THR . 83.8 t -110.62 160.64 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.41 ' N ' HG12 ' A' ' 22' ' ' VAL . 88.7 m -82.07 148.05 28.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.811 HG22 HG23 ' A' ' 10' ' ' VAL . 4.2 t -98.83 109.77 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 11.6 mtp180 -115.92 158.99 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -115.56 82.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.47 -64.96 0.19 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.633 ' CG ' HG21 ' A' ' 67' ' ' ILE . 15.1 ptm -52.06 169.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.0 p -101.89 -172.43 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.456 HG13 HD23 ' A' ' 34' ' ' LEU . 74.6 t -80.42 -31.56 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASP . 15.2 t80 -64.49 -57.11 10.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.6 -19.6 62.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.607 ' CB ' HD13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -84.14 -62.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.804 HD12 HG21 ' A' ' 77' ' ' VAL . 4.1 mm? -70.57 -7.97 47.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.1 t70 -46.62 -73.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.6 -50.19 63.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -39.9 -30.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.894 HD21 HG11 ' A' ' 77' ' ' VAL . 36.4 mt -91.49 -57.66 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 40' ' ' VAL . 21.5 mmmt -42.36 -48.28 5.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 37' ' ' ALA . 7.2 p -38.95 -35.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.476 ' HD2' HD13 ' A' ' 14' ' ' LEU . 3.4 mtt85 -106.24 -28.07 10.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.46 10.47 29.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.851 HD22 ' SG ' ' A' ' 48' ' ' CYS . 20.3 mt -60.82 167.53 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -114.29 163.75 14.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.531 ' HG3' HD12 ' A' ' 38' ' ' LEU . 7.4 mp0 -101.06 41.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -146.37 -46.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 56.1 m -92.62 22.08 4.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.331 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.851 ' SG ' HD22 ' A' ' 43' ' ' LEU . 62.7 m -140.94 146.09 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.55 HG13 ' CE1' ' A' ' 51' ' ' TYR . 6.3 p -130.15 163.63 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 77' ' ' VAL . 47.7 t -128.58 124.48 61.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 5.1 m-85 -103.59 142.02 35.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.582 ' HG2' HD23 ' A' ' 75' ' ' LEU . 24.1 mtm180 -117.26 145.06 44.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.58 95.67 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.915 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.5 mp -92.79 -70.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.544 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -119.05 51.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.56 31.18 77.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.25 140.85 28.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HE3' ' CD1' ' A' ' 76' ' ' ILE . 4.2 mttp -62.72 110.05 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.915 ' HB ' HD13 ' A' ' 54' ' ' ILE . 2.1 m -108.85 104.7 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.485 HG13 ' CG2' ' A' ' 49' ' ' VAL . 72.7 t -47.7 152.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.29 159.75 35.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.453 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.849 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -88.62 158.68 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -83.76 -27.14 29.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 107.993 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -31.91 59.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.849 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 28.4 m -42.7 162.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.409 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.35 163.49 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.633 HG21 ' CG ' ' A' ' 28' ' ' MET . 0.8 OUTLIER -103.34 12.39 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.892 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -79.66 -56.96 0.73 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.892 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.1 Cg_endo -75.0 53.4 3.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 71' ' ' ASP . 0.8 OUTLIER -140.36 -43.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.748 ' OD1' HG11 ' A' ' 24' ' ' VAL . 25.7 t70 -29.4 128.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.86 56.38 3.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.664 ' OE2' HD12 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -160.68 -165.77 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 0.792 . . . . 0.0 110.335 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 14.8 mt-10 -147.99 113.17 5.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.664 HD12 ' OE2' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -96.51 144.14 26.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.426 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 84.8 mt -117.39 109.52 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.894 HG11 HD21 ' A' ' 38' ' ' LEU . 48.1 t -91.7 112.69 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -115.97 161.08 19.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 81' ' ' SER . 2.1 p -108.18 124.33 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.87 -63.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.474 ' O ' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -72.99 115.89 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.01 145.16 37.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.27 140.88 17.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 t -172.85 100.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.75 157.01 16.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.767 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.99 -58.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.87 -163.3 11.4 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 p -131.06 87.72 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -157.05 139.63 14.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.68 -64.35 4.31 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.65 64.22 0.85 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.432 ' HB ' HG12 ' A' ' 21' ' ' VAL . 6.7 p -148.11 178.67 8.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.399 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.672 HG23 HG22 ' A' ' 24' ' ' VAL . 22.6 t -139.61 150.54 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.547 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -96.41 129.07 43.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 19' ' ' ARG . 75.4 t -118.08 142.93 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -114.92 118.19 32.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.549 HD13 ' HD2' ' A' ' 41' ' ' ARG . 13.8 mt -89.41 157.44 47.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 54.13 3.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -155.42 24.25 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 mttp 64.48 11.94 6.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -107.32 166.21 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.57 154.43 42.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.2 t -137.72 141.18 41.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.432 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.4 t -93.51 123.78 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 23' ' ' THR . 40.8 t -110.03 168.44 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.516 ' N ' HG12 ' A' ' 22' ' ' VAL . 58.0 m -97.33 143.35 28.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.672 HG22 HG23 ' A' ' 10' ' ' VAL . 2.0 t -92.76 110.28 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 23.6 mtp180 -121.21 126.49 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.99 78.17 9.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.86 -60.08 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.608 ' CG ' HG21 ' A' ' 67' ' ' ILE . 15.9 ptm -62.65 174.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.744 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.7 p -107.53 -175.49 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.483 HG13 HD23 ' A' ' 34' ' ' LEU . 73.0 t -78.21 -32.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' ASP . 48.2 t80 -62.24 -58.8 6.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.84 -22.36 65.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.19 -62.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.817 HD12 HG21 ' A' ' 77' ' ' VAL . 4.0 mm? -67.78 -17.99 64.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.3 t0 -39.28 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.617 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -50.51 -50.5 52.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.52 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -43.2 -29.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.994 HD21 HG11 ' A' ' 77' ' ' VAL . 59.0 mt -90.27 -60.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 7.2 mmmm -39.96 -50.66 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 36' ' ' LYS . 5.2 p -39.4 -45.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.549 ' HD2' HD13 ' A' ' 14' ' ' LEU . 21.0 mtp85 -91.76 -30.87 16.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.02 10.27 22.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.554 HD22 ' SG ' ' A' ' 48' ' ' CYS . 23.2 mt -67.41 175.34 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -135.45 163.58 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -98.11 38.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -125.35 -52.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -106.86 42.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.336 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.554 ' SG ' HD22 ' A' ' 43' ' ' LEU . 90.3 m -141.13 163.43 32.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.606 HG23 HG13 ' A' ' 60' ' ' VAL . 3.2 p -149.31 152.86 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 77' ' ' VAL . 42.7 t -121.36 124.75 72.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.601 ' CE1' HG13 ' A' ' 49' ' ' VAL . 2.8 m-85 -103.68 138.46 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.608 ' HG2' HD23 ' A' ' 75' ' ' LEU . 46.7 mtm180 -116.31 138.95 50.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.4 96.28 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.887 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.7 mp -95.2 -64.55 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -121.08 35.25 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.75 11.8 78.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -122.12 138.73 54.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -62.11 98.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.887 ' HB ' HD13 ' A' ' 54' ' ' ILE . 1.5 m -94.1 104.23 16.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.606 HG13 HG23 ' A' ' 49' ' ' VAL . 94.8 t -54.18 142.28 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.561 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -117.99 161.37 19.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.442 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.659 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -87.32 162.34 17.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.521 ' CH2' HG23 ' A' ' 50' ' ' VAL . 92.2 m95 -91.54 -25.95 18.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.48 -28.93 37.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.659 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 16.8 m -45.76 171.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.517 ' N ' HG22 ' A' ' 65' ' ' THR . . . -100.33 164.58 11.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.608 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.2 tp -106.42 10.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.852 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.61 -55.2 1.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.852 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 58.13 4.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.804 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.4 mm? -142.46 21.49 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.66 113.95 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.67 94.07 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 2.2 pp20? -175.65 -164.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 0.781 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.547 ' OE2' ' CB ' ' A' ' 11' ' ' LYS . 8.6 mm-40 -151.29 134.37 15.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.608 HD23 ' HG2' ' A' ' 52' ' ' ARG . 1.7 mt -115.73 131.22 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 77.4 mt -113.97 112.04 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.994 HG11 HD21 ' A' ' 38' ' ' LEU . 95.7 t -89.78 131.73 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -142.89 171.83 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.4 t -97.05 131.84 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.472 HD21 ' HB ' ' A' ' 49' ' ' VAL . 46.8 mt -65.38 93.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.86 -56.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.047 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.04 97.25 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.13 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.59 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.61 130.12 39.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.08 168.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -174.37 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 m -98.36 154.89 17.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.63 142.31 3.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.63 -56.86 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.965 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -173.71 -56.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.05 112.0 1.14 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.488 ' O ' HG23 ' A' ' 9' ' ' THR . . . -85.36 65.44 4.0 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 8' ' ' GLY . 1.2 p -153.54 174.58 14.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 0.0 110.352 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 71' ' ' ASP . 3.4 t -140.99 145.17 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -92.91 128.74 38.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 19' ' ' ARG . 25.5 t -115.24 114.37 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -87.44 115.49 24.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD21 ' O ' ' A' ' 37' ' ' ALA . 11.1 mt -89.75 158.27 45.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.47 3.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.416 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER 171.96 42.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mttt 46.18 25.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 16' ' ' ASN . 5.8 mt-30 -112.95 158.43 20.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -146.5 151.87 38.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.405 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.8 t -140.36 134.02 30.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.463 HG12 ' HB ' ' A' ' 9' ' ' THR . 3.6 t -88.5 134.61 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 23' ' ' THR . 44.7 t -126.78 166.82 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.503 ' N ' HG12 ' A' ' 22' ' ' VAL . 54.0 m -87.48 148.79 24.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.755 HG11 ' OD2' ' A' ' 71' ' ' ASP . 2.8 t -92.28 109.97 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 9.4 mtt85 -114.94 -169.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.421 ' HA ' ' HB2' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -132.3 -49.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.1 -73.31 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.653 ' CG ' HG21 ' A' ' 67' ' ' ILE . 11.7 ptm -42.3 165.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 34.1 m -110.89 -174.9 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.3 t -67.43 -45.6 85.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ASP . 7.0 t80 -59.0 -51.27 70.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.05 -30.23 70.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -54.84 6.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.646 HD12 HG21 ' A' ' 77' ' ' VAL . 4.2 mm? -83.27 10.88 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' TYR . 8.9 t0 -64.58 -53.79 42.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.547 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -70.97 -49.68 42.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.469 ' O ' HD21 ' A' ' 14' ' ' LEU . . . -39.96 -34.5 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.035 HD21 HG11 ' A' ' 77' ' ' VAL . 45.7 mt -89.91 -64.49 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.6 mttp -39.57 -55.09 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.5 p -39.44 -44.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 41' ' ' ARG . 8.1 mtp-105 -87.21 -30.4 21.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 106.04 11.34 28.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.871 HD22 ' SG ' ' A' ' 48' ' ' CYS . 24.3 mt -66.0 -177.9 0.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -136.85 152.33 50.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -87.97 42.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -143.97 -49.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.6 m -95.15 27.45 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.871 ' SG ' HD22 ' A' ' 43' ' ' LEU . 90.7 m -140.4 166.72 23.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.298 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.616 HG13 ' CE1' ' A' ' 51' ' ' TYR . 5.7 p -149.94 157.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.634 HG22 HG22 ' A' ' 77' ' ' VAL . 21.2 t -125.15 132.63 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.616 ' CE1' HG13 ' A' ' 49' ' ' VAL . 2.7 m-85 -112.55 136.37 52.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 9.7 mtm180 -104.14 137.93 41.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -91.72 92.02 8.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.583 HD13 HG21 ' A' ' 59' ' ' THR . 2.5 mp -99.22 -70.21 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.96 50.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.37 23.61 62.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -131.28 130.21 42.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.36 104.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.583 HG21 HD13 ' A' ' 54' ' ' ILE . 2.0 m -98.21 97.99 9.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -49.01 125.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.478 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -106.92 142.73 36.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.934 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -75.47 158.16 33.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.503 ' CH2' ' CG2' ' A' ' 50' ' ' VAL . 86.2 m95 -81.29 -52.07 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -50.73 -30.92 15.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.934 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 15.5 m -47.67 158.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 29' ' ' SER . . . -95.47 165.88 12.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.653 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.6 tp -100.73 -0.41 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.84 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -68.29 -54.76 14.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.84 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.96 55.59 3.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.593 HD13 ' HG3' ' A' ' 73' ' ' GLU . 0.1 OUTLIER 176.46 125.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.755 ' OD2' HG11 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -154.4 -60.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' N ' ' OE2' ' A' ' 73' ' ' GLU . . . -80.44 67.16 3.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.593 ' HG3' HD13 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -160.31 -173.83 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -140.8 117.63 11.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.285 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.491 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 1.9 mt -90.25 137.92 31.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 79.4 mt -115.93 113.05 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.035 HG11 HD21 ' A' ' 38' ' ' LEU . 95.6 t -91.9 131.74 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -140.3 168.21 20.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.2 t -101.78 130.24 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 46' ' ' ASP . 57.4 mt -55.83 -68.44 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.7 m -58.47 164.85 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 130.64 -162.46 23.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 173.24 14.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.0 m -76.92 135.1 38.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 94.0 p -113.62 102.66 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 p -123.7 115.96 22.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t 72.08 -60.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.06 -75.08 0.29 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t 55.45 98.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 0.0 109.988 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 p -155.2 165.39 36.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.073 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.26 99.94 1.93 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.33 -40.12 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.635 ' HB ' HG12 ' A' ' 21' ' ' VAL . 7.3 p -151.03 171.35 17.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.487 0.757 . . . . 0.0 110.435 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 15.0 t -139.22 149.47 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -88.81 127.35 35.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -114.14 108.4 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -83.04 116.19 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.783 HD21 ' O ' ' A' ' 37' ' ' ALA . 12.1 mt -89.84 158.16 45.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 71.96 4.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.0 38.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt 50.34 22.89 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -111.93 160.87 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.6 150.66 34.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -141.22 132.7 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.635 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.6 t -85.1 124.89 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.87 160.12 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.4 m -83.18 145.0 29.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.599 HG11 ' HB2' ' A' ' 71' ' ' ASP . 2.9 t -82.81 109.54 16.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.508 ' CB ' ' SD ' ' A' ' 28' ' ' MET . 5.2 mmt180 -105.58 159.57 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -136.05 43.46 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.42 41.94 0.24 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.508 ' SD ' ' CB ' ' A' ' 25' ' ' ARG . 14.8 ptm -164.74 159.02 18.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -79.66 177.23 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.479 HG13 HD23 ' A' ' 34' ' ' LEU . 34.9 t -79.07 -32.49 15.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASP . 9.4 t80 -60.68 -53.81 52.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -63.1 -24.42 67.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.464 ' CB ' HD13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -78.27 -61.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.807 HD12 HG21 ' A' ' 77' ' ' VAL . 4.1 mm? -72.37 -5.9 39.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.1 t70 -45.68 -63.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -54.86 -54.37 43.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.783 ' O ' HD21 ' A' ' 14' ' ' LEU . . . -39.84 -31.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.945 HD21 HG11 ' A' ' 77' ' ' VAL . 37.0 mt -90.76 -52.5 4.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -41.36 -49.59 3.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.5 p -50.34 -45.22 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HB2' HD12 ' A' ' 43' ' ' LEU . 20.2 mtp85 -95.45 17.14 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.27 27.09 3.69 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 41' ' ' ARG . 28.1 mt -76.79 -177.84 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 0.74 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -134.78 164.18 28.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.465 ' HG3' HD12 ' A' ' 38' ' ' LEU . 14.1 mp0 -100.21 35.52 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -125.69 -49.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.28 35.03 2.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 108.333 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 78' ' ' GLU . 78.9 m -140.98 147.74 39.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.556 HG13 ' CE1' ' A' ' 51' ' ' TYR . 2.4 p -134.68 147.1 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.69 ' HB ' HG22 ' A' ' 61' ' ' THR . 38.4 t -113.96 126.98 71.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.556 ' CE1' HG13 ' A' ' 49' ' ' VAL . 3.0 m-85 -102.95 138.82 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.493 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 12.0 mtm-85 -98.89 136.41 38.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 76' ' ' ILE . 1.3 mm? -80.95 102.83 10.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.493 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -125.29 94.78 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 62.83 35.84 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.81 47.04 42.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -144.79 111.17 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 103.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.431 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -103.63 101.78 11.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.44 HG13 HG23 ' A' ' 49' ' ' VAL . 59.5 t -39.16 147.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.69 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -127.79 164.49 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.411 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.869 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -95.06 157.83 15.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.626 ' CH2' HG23 ' A' ' 50' ' ' VAL . 91.3 m95 -85.92 -41.05 15.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 108.048 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -65.0 -28.92 69.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.869 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 43.7 m -46.71 168.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.397 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.454 ' N ' HG22 ' A' ' 65' ' ' THR . . . -96.19 169.49 9.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.72 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.1 tp -109.23 18.66 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.881 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -80.29 -56.23 0.72 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.881 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.03 56.03 4.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.431 1.753 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.731 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.8 mm? -133.13 -42.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.599 ' HB2' HG11 ' A' ' 24' ' ' VAL . 15.2 t0 -32.03 115.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.52 56.13 2.32 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -162.82 -169.88 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 7.1 mt-10 -146.49 122.46 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.627 HD22 HG12 ' A' ' 50' ' ' VAL . 57.1 mt -102.61 130.86 49.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 84.1 mt -110.33 113.13 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.945 HG11 HD21 ' A' ' 38' ' ' LEU . 61.2 t -88.92 128.65 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -137.54 167.29 21.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.433 HG22 HD22 ' A' ' 43' ' ' LEU . 70.1 t -102.91 130.66 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 mt -58.47 120.14 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.17 -53.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 112.4 155.73 12.63 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 163.6 34.88 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 m -169.52 -60.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.79 106.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.026 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.22 111.8 1.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 0.74 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -126.74 129.84 49.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.7 -146.93 4.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -54.62 -65.06 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.2 p -109.62 140.88 42.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.38 -163.06 38.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.93 51.15 0.08 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 22' ' ' VAL . 14.4 p -143.45 179.71 6.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.383 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.496 HG23 HG22 ' A' ' 24' ' ' VAL . 22.1 t -141.34 149.96 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.91 131.82 36.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.51 HG11 HD11 ' A' ' 34' ' ' LEU . 84.8 t -119.14 139.75 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -110.91 114.87 28.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.409 HD21 ' O ' ' A' ' 37' ' ' ALA . 17.1 mt -87.33 156.84 53.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.54 3.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.444 1.76 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.45 ' CG ' ' NH2' ' A' ' 41' ' ' ARG . 1.4 t-20 -156.6 25.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.9 mttt 62.48 13.43 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.34 165.9 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 4.1 ptt85 -145.05 156.9 44.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.6 t -139.45 144.61 38.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.3 t -93.13 122.19 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 23' ' ' THR . 54.6 t -109.91 165.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.484 ' N ' HG12 ' A' ' 22' ' ' VAL . 46.3 m -97.49 140.48 31.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 10' ' ' VAL . 1.6 t -86.72 109.63 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 4.4 mtp-105 -115.19 149.58 37.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -106.08 74.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.64 -57.83 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.545 ' CG ' HG21 ' A' ' 67' ' ' ILE . 14.2 ptm -58.1 166.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 7.7 m -102.51 -169.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -80.17 -35.92 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.602 ' CE2' ' CD ' ' A' ' 45' ' ' GLN . 8.0 t80 -67.46 -53.05 32.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.11 -14.56 38.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.492 ' OG ' ' CE ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -91.87 -60.85 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.757 HD12 HG21 ' A' ' 77' ' ' VAL . 4.1 mm? -72.22 -5.35 35.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 5.3 t70 -46.31 -63.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.41 ' O ' HG12 ' A' ' 40' ' ' VAL . 14.7 mmmt -59.4 -53.78 54.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.644 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -41.13 -32.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.857 HD21 HG11 ' A' ' 77' ' ' VAL . 21.5 mt -92.03 -54.24 3.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -48.06 -34.82 10.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.652 HG13 ' HG3' ' A' ' 41' ' ' ARG . 14.7 p -59.66 -32.74 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.652 ' HG3' HG13 ' A' ' 40' ' ' VAL . 2.9 mtt-85 -109.94 2.62 19.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 65.73 22.98 70.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.432 HD22 ' SG ' ' A' ' 48' ' ' CYS . 31.6 mt -70.71 162.69 28.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -102.7 160.51 14.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 31' ' ' TYR . 2.1 mp0 -97.01 22.46 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 80' ' ' LEU . 39.9 t0 -129.56 -43.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.0 m -91.28 20.08 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 108.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.445 ' SG ' HG22 ' A' ' 79' ' ' VAL . 71.9 m -137.5 147.52 45.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.453 HG22 ' CE1' ' A' ' 51' ' ' TYR . 1.5 p -132.9 159.41 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.731 ' HB ' HG22 ' A' ' 61' ' ' THR . 40.9 t -126.09 122.63 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.5 m-85 -101.09 139.7 36.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 17.6 mtp180 -102.97 133.78 47.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.24 103.19 7.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.9 mp -126.41 93.49 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.61 23.96 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.32 36.46 23.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.539 1.149 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -135.22 112.76 10.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.253 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 105.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 24.2 m -105.75 99.67 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.433 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -39.58 153.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.731 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.0 OUTLIER -135.91 151.02 49.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.656 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -79.77 162.11 25.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.462 ' CH2' HG23 ' A' ' 50' ' ' VAL . 95.9 m95 -89.48 -37.45 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 108.029 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.58 -32.48 72.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.656 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 17.1 m -46.05 171.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 65' ' ' THR . . . -100.39 163.54 12.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.621 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -104.21 10.08 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.853 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -69.85 -55.26 8.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.858 ' C ' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 54.78 3.75 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.574 1.829 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.858 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.4 mm? -144.12 24.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.52 123.11 22.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.67 76.77 0.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' OE2' HG11 ' A' ' 10' ' ' VAL . 2.8 pp20? -165.34 -167.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 4.4 mt-10 -150.01 117.02 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.363 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.484 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 4.4 mt -95.82 137.84 34.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 65.0 mt -113.9 114.36 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.857 HG11 HD21 ' A' ' 38' ' ' LEU . 58.8 t -92.42 125.01 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.515 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -133.03 169.75 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.445 HG22 ' SG ' ' A' ' 48' ' ' CYS . 43.6 t -104.79 133.72 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 46' ' ' ASP . 26.5 mt -59.76 111.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.9 t -151.64 145.69 25.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.987 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.82 143.34 5.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 71.19 5.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.19 89.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.62 167.1 27.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 4' ' ' GLY . 4.0 t 49.14 96.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.005 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t 61.6 -81.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 93.06 137.86 8.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m 57.09 92.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.934 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -153.09 110.17 3.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.06 -142.39 17.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 9' ' ' THR . . . -156.78 64.9 0.31 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.671 ' HB ' HG12 ' A' ' 21' ' ' VAL . 9.7 p -153.51 171.96 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 0.795 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.775 HG23 HG22 ' A' ' 24' ' ' VAL . 54.1 t -136.24 146.07 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -92.07 130.63 37.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.713 HG11 HD11 ' A' ' 34' ' ' LEU . 65.2 t -120.45 120.89 64.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -87.54 117.01 26.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.9 mt -89.14 159.56 44.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.54 4.29 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.407 ' C ' ' N ' ' A' ' 18' ' ' GLN . 1.9 t-20 173.85 40.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt 47.77 24.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' N ' ' C ' ' A' ' 16' ' ' ASN . 9.7 mt-30 -111.87 162.53 15.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.68 153.68 41.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.423 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.4 t -141.39 136.91 31.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.671 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.8 t -92.76 126.1 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 23' ' ' THR . 43.8 t -115.16 162.26 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.42 ' N ' HG12 ' A' ' 22' ' ' VAL . 81.2 m -89.37 133.38 34.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.775 HG22 HG23 ' A' ' 10' ' ' VAL . 1.8 t -83.18 109.8 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.92 174.38 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -134.16 49.16 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.35 44.25 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.511 ' CG ' HG21 ' A' ' 67' ' ' ILE . 15.5 ptm -169.09 163.12 11.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.0 p -92.98 -177.79 4.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.673 HG13 HD23 ' A' ' 34' ' ' LEU . 73.1 t -78.15 -28.85 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ASP . 32.2 t80 -62.85 -56.79 14.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -62.57 -27.0 68.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.53 -62.49 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.035 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.713 HD11 HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -68.21 -13.73 62.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.1 t70 -41.36 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.436 ' O ' HG12 ' A' ' 40' ' ' VAL . 1.4 ptmt -50.85 -44.47 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -47.02 -29.97 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.912 HD21 HG11 ' A' ' 77' ' ' VAL . 40.7 mt -91.58 -57.27 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 7.5 mmmm -44.59 -52.01 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 36' ' ' LYS . 14.1 p -38.08 -47.37 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.432 ' N ' HG13 ' A' ' 40' ' ' VAL . 26.0 mtp85 -87.9 -32.32 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.0 10.88 20.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.64 HD22 ' SG ' ' A' ' 48' ' ' CYS . 26.1 mt -67.85 178.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -131.77 159.72 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 35' ' ' ASP . 3.1 mp0 -94.42 41.69 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.656 ' O ' HD12 ' A' ' 80' ' ' LEU . 1.7 t70 -140.24 -47.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.429 ' O ' HG13 ' A' ' 79' ' ' VAL . 57.8 m -101.83 32.85 3.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.64 ' SG ' HD22 ' A' ' 43' ' ' LEU . 93.0 m -141.35 151.4 43.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 108.316 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.523 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.4 p -137.73 148.84 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.535 HG22 HG22 ' A' ' 77' ' ' VAL . 24.6 t -117.39 125.05 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.523 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.4 m-85 -104.22 140.28 38.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.524 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 6.9 mtm105 -105.51 134.44 48.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.464 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -81.66 103.73 11.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.553 HD13 HG21 ' A' ' 59' ' ' THR . 1.7 mp -123.53 107.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.54 -55.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.35 40.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.02 153.28 37.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.76 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -78.32 113.03 15.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.553 HG21 HD13 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -106.42 102.47 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.5 t -47.41 137.8 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.508 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.3 t -113.11 163.46 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.813 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -101.46 136.96 40.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.516 ' CH2' HG23 ' A' ' 50' ' ' VAL . 89.7 m95 -63.98 -26.41 68.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 108.015 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -72.76 -39.07 67.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.813 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 17.9 m -39.52 159.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 110.44 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.47 176.51 7.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.511 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.8 tp -117.36 2.87 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.868 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -76.95 -55.48 1.43 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.868 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.99 54.96 3.79 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.843 HD22 ' O ' ' A' ' 69' ' ' PRO . 2.1 mm? -148.72 26.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.85 128.3 35.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.2 71.87 0.86 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 3.0 pp20? -163.17 -173.55 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 2.8 mt-10 -149.36 130.73 14.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 4.7 mt -112.32 152.31 28.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.0 mt -119.0 113.65 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.912 HG11 HD21 ' A' ' 38' ' ' LEU . 60.2 t -94.37 123.46 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.424 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -134.14 172.32 13.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.501 HG22 HD22 ' A' ' 43' ' ' LEU . 91.0 t -99.17 132.43 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 46' ' ' ASP . 23.3 mt -58.04 -67.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -79.25 82.6 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.07 176.71 24.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.35 40.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.33 108.44 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 t -71.72 -58.66 3.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.105 . . . . 0.0 110.974 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -93.01 128.33 38.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.746 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.45 92.43 8.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.99 -113.87 1.07 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.095 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.17 126.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -108.11 135.0 50.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.86 86.39 0.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.56 52.28 0.11 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.6 p -144.27 179.18 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.1 t -143.99 146.31 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HB2' ' OE2' ' A' ' 74' ' ' GLU . 17.8 mttt -89.49 128.8 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.63 HG11 HD11 ' A' ' 34' ' ' LEU . 77.5 t -117.25 112.36 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -81.4 115.28 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.488 HD13 ' HD2' ' A' ' 41' ' ' ARG . 10.0 mt -85.35 163.78 43.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.38 17.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -91.68 39.28 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? 44.26 27.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 16' ' ' ASN . 1.4 mt-30 -122.19 174.67 6.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.99 152.45 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.421 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.3 t -141.35 128.39 20.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -87.68 119.69 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.6 157.61 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.5 m -85.35 150.99 24.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.91 109.89 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.9 OUTLIER -117.39 93.0 4.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -54.65 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.255 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 164.5 -66.68 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.447 ' CG ' HG21 ' A' ' 67' ' ' ILE . 22.0 ptm -56.53 163.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -90.49 176.4 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.538 HG13 HD23 ' A' ' 34' ' ' LEU . 74.5 t -77.65 -29.1 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' ASP . 17.4 t80 -63.22 -57.89 8.98 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -60.87 -26.16 67.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.06 -62.57 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.718 HD12 HG21 ' A' ' 77' ' ' VAL . 3.2 mm? -65.72 -20.39 66.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.4 t0 -44.07 -57.05 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -61.02 -55.24 35.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.542 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -43.24 -27.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.975 HD21 HG11 ' A' ' 77' ' ' VAL . 25.7 mt -90.55 -58.61 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -43.34 -48.51 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.246 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.542 HG12 ' C ' ' A' ' 37' ' ' ALA . 7.3 p -39.54 -38.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.488 ' HD2' HD13 ' A' ' 14' ' ' LEU . 1.2 mtt85 -101.17 -28.01 12.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.48 9.48 29.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.737 HD22 ' SG ' ' A' ' 48' ' ' CYS . 18.5 mt -61.76 162.83 8.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -112.81 142.44 45.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.695 ' NE2' ' CZ3' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -86.17 45.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.08 -48.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.4 m -91.94 15.76 12.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 108.249 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.737 ' SG ' HD22 ' A' ' 43' ' ' LEU . 48.7 m -125.15 161.32 27.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 108.311 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.572 HG13 ' CE1' ' A' ' 51' ' ' TYR . 4.1 p -142.85 156.14 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.846 HG22 HG22 ' A' ' 77' ' ' VAL . 42.3 t -125.14 128.19 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 2.6 m-85 -107.28 142.15 37.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.656 ' HG2' HD23 ' A' ' 75' ' ' LEU . 37.1 mtm180 -119.03 140.51 49.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.66 98.97 9.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.833 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.4 mp -100.9 -63.48 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -123.8 49.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.77 20.3 68.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.84 137.49 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -60.55 98.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.833 ' HB ' HD13 ' A' ' 54' ' ' ILE . 4.0 m -95.4 99.38 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.433 HG13 HG23 ' A' ' 49' ' ' VAL . 77.3 t -48.37 153.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.492 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -126.54 156.91 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.712 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -84.61 152.09 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.695 ' CZ3' ' NE2' ' A' ' 45' ' ' GLN . 62.2 m95 -78.48 -26.47 46.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -92.35 35.13 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.712 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 88.2 m -104.67 165.12 11.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.69 161.14 15.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.447 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -110.47 18.1 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.076 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.88 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -79.74 -56.52 0.76 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.88 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 50.4 2.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.994 HD12 HD11 ' A' ' 75' ' ' LEU . 1.4 mm? -121.87 -41.0 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 70' ' ' LEU . 18.3 t0 -37.3 100.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 103.02 59.71 0.73 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.745 ' CD ' HD13 ' A' ' 70' ' ' LEU . 4.8 pt-20 -170.76 -177.01 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' OE2' ' HB2' ' A' ' 11' ' ' LYS . 6.3 mm-40 -140.88 131.66 25.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.994 HD11 HD12 ' A' ' 70' ' ' LEU . 1.3 mt -110.41 137.15 48.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 81.2 mt -115.61 109.4 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.975 HG11 HD21 ' A' ' 38' ' ' LEU . 94.1 t -91.78 115.08 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 18.5 mt-10 -134.14 145.85 49.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.91 136.11 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.7 mt -53.78 100.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.9 p -155.08 169.34 24.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -122.99 -76.17 0.34 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.39 21.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.525 1.802 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -44.07 -58.94 2.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.25 79.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 p 54.57 169.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -155.03 93.12 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.82 -63.31 0.1 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -120.73 91.14 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -124.67 92.52 3.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.26 135.8 7.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.486 ' O ' HG23 ' A' ' 9' ' ' THR . . . 174.14 -33.61 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.652 ' HB ' HG12 ' A' ' 21' ' ' VAL . 3.8 p -154.25 166.23 33.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 0.783 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.8 t -138.17 147.94 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -90.79 130.26 36.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.966 HG11 HD11 ' A' ' 34' ' ' LEU . 64.9 t -119.18 112.83 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -81.99 118.77 23.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.773 HD13 ' HD2' ' A' ' 41' ' ' ARG . 11.2 mt -89.62 160.6 41.3 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 73.17 4.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER 173.98 41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt 48.3 24.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 16' ' ' ASN . 3.4 mt-30 -110.5 164.33 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.85 151.56 34.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.0 t -141.3 134.72 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.652 HG12 ' HB ' ' A' ' 9' ' ' THR . 2.8 t -87.75 131.09 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.5 t -121.35 155.91 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -83.46 147.79 27.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 71' ' ' ASP . 1.4 t -95.68 109.89 23.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -115.12 103.38 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.43 78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 175.98 -62.33 0.1 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.547 ' CG ' HG21 ' A' ' 67' ' ' ILE . 20.4 ptm -58.23 168.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.4 p -96.68 -174.21 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.6 t -80.61 -42.7 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.552 ' CE1' ' NE2' ' A' ' 45' ' ' GLN . 39.3 t80 -55.54 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.52 -24.37 31.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -52.88 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.966 HD11 HG11 ' A' ' 12' ' ' VAL . 4.3 mm? -86.86 17.18 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.7 t70 -73.28 -50.97 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -76.49 -49.8 15.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.544 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -39.45 -31.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.03 HD21 HG11 ' A' ' 77' ' ' VAL . 39.8 mt -88.84 -58.9 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 41' ' ' ARG . 11.4 mttt -44.05 -49.33 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.566 HG13 ' HG3' ' A' ' 41' ' ' ARG . 10.2 p -40.0 -30.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.773 ' HD2' HD13 ' A' ' 14' ' ' LEU . 3.0 mtt-85 -106.19 -31.33 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.74 3.3 18.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.794 HD22 ' SG ' ' A' ' 48' ' ' CYS . 23.3 mt -68.17 168.13 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -138.58 157.22 46.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.552 ' NE2' ' CE1' ' A' ' 31' ' ' TYR . 10.8 mp0 -86.66 44.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -125.52 -50.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 t -112.77 38.38 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.794 ' SG ' HD22 ' A' ' 43' ' ' LEU . 50.1 m -141.0 148.24 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.566 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 5.5 p -133.65 154.63 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.805 HG22 HG22 ' A' ' 77' ' ' VAL . 47.9 t -122.22 121.8 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.566 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.8 m-85 -100.11 139.74 35.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.702 ' HG2' HD23 ' A' ' 75' ' ' LEU . 27.5 mtm180 -114.34 138.73 50.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.25 93.81 9.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.578 HD13 HG21 ' A' ' 59' ' ' THR . 1.6 mp -95.48 -63.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.29 45.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.03 22.65 74.26 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.57 142.4 48.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -65.75 107.21 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.578 HG21 HD13 ' A' ' 54' ' ' ILE . 8.1 m -103.56 107.78 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.0 t -53.11 144.21 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.453 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -123.15 162.35 22.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.788 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -92.22 162.41 14.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.542 ' CH2' HG23 ' A' ' 50' ' ' VAL . 86.6 m95 -90.49 -19.21 24.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -96.33 25.26 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.788 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 5.5 m -98.44 163.43 12.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.36 155.06 19.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.767 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -101.13 16.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.874 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -78.04 -55.94 1.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.874 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.04 54.5 3.68 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.767 HD23 ' HA ' ' A' ' 67' ' ' ILE . 3.8 mm? -132.67 -42.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.537 ' HB2' HG11 ' A' ' 24' ' ' VAL . 52.7 t0 -34.49 105.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.08 54.54 1.18 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.5 ' OE2' HD12 ' A' ' 75' ' ' LEU . 1.3 pp20? -161.03 -169.01 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 7.2 mt-10 -147.73 123.71 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.254 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.702 HD23 ' HG2' ' A' ' 52' ' ' ARG . 1.2 mt -106.22 139.33 40.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 79.8 mt -116.9 110.91 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.03 HG11 HD21 ' A' ' 38' ' ' LEU . 86.3 t -91.71 126.89 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 48' ' ' CYS . 0.2 OUTLIER -139.06 172.0 13.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.508 HG22 ' SG ' ' A' ' 48' ' ' CYS . 62.3 t -98.76 134.46 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.81 138.4 58.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.9 t 65.51 144.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -128.72 96.56 0.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.4 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.9 p -132.64 115.83 15.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t 41.47 82.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -119.08 127.92 53.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -156.49 130.01 8.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.86 131.63 6.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t 64.42 105.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.768 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -135.35 167.94 20.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.13 175.88 42.19 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.409 ' O ' HG23 ' A' ' 9' ' ' THR . . . -141.33 60.51 0.55 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 8' ' ' GLY . 16.1 p -153.25 176.36 12.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.772 . . . . 0.0 110.374 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.1 t -140.25 144.2 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -92.05 129.51 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.428 HG11 ' CD1' ' A' ' 34' ' ' LEU . 17.5 t -114.57 112.73 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -83.51 116.09 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.8 HD13 ' HD2' ' A' ' 41' ' ' ARG . 6.7 mt -80.95 163.15 56.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.541 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 18.2 Cg_endo -75.02 92.89 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.777 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.541 ' ND2' ' O ' ' A' ' 15' ' ' PRO . 0.6 OUTLIER 158.31 -56.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 16' ' ' ASN . 0.3 OUTLIER 165.19 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -61.66 161.52 9.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -148.88 151.12 34.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 t -130.85 133.01 45.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.401 HG12 ' HB ' ' A' ' 9' ' ' THR . 0.6 OUTLIER -91.5 119.56 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.5 t -106.25 155.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.4 m -88.93 147.63 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.748 HG11 ' HB2' ' A' ' 71' ' ' ASP . 2.4 t -88.77 110.06 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -117.4 143.03 46.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.25 77.02 2.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.77 -57.38 0.17 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.608 ' CG ' HG21 ' A' ' 67' ' ' ILE . 16.4 ptm -58.06 162.42 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 13.4 p -106.08 175.53 5.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.487 HG13 HD23 ' A' ' 34' ' ' LEU . 77.2 t -64.8 -35.34 74.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' ASP . 78.9 t80 -64.04 -57.56 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.29 -20.36 62.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -62.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.76 HD12 HG21 ' A' ' 77' ' ' VAL . 3.5 mm? -66.76 -17.12 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.4 t70 -39.89 -71.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.721 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -53.47 -49.63 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.539 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -41.49 -32.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.965 HD21 HG11 ' A' ' 77' ' ' VAL . 10.2 mt -91.38 -60.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.5 mptt -40.64 -49.44 3.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 36' ' ' LYS . 5.1 p -38.08 -41.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.8 ' HD2' HD13 ' A' ' 14' ' ' LEU . 5.2 mtt-85 -101.56 -24.44 14.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 109.34 5.35 30.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.578 HD22 ' SG ' ' A' ' 48' ' ' CYS . 24.0 mt -64.9 152.75 42.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -109.37 159.4 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.607 ' OE1' ' CZ3' ' A' ' 63' ' ' TRP . 2.3 mm100 -96.95 41.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.14 -51.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.9 34.76 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.578 ' SG ' HD22 ' A' ' 43' ' ' LEU . 22.3 m -141.01 155.27 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.57 HG13 ' CE1' ' A' ' 51' ' ' TYR . 2.5 p -137.32 148.86 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.477 HG22 HG22 ' A' ' 77' ' ' VAL . 25.8 t -116.61 124.76 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE1' HG13 ' A' ' 49' ' ' VAL . 3.0 m-85 -103.43 141.21 36.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.663 ' HG2' HD23 ' A' ' 75' ' ' LEU . 44.2 mtm180 -116.77 146.33 42.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.42 98.03 11.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.869 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.8 mp -99.21 -70.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -118.48 52.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.55 36.49 93.27 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.59 139.28 21.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 0.8 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 108.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.869 ' HB ' HD13 ' A' ' 54' ' ' ILE . 2.2 m -105.92 103.07 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.557 HG13 HG23 ' A' ' 49' ' ' VAL . 75.5 t -52.07 148.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.87 164.18 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.367 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.717 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -88.45 161.7 16.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.607 ' CZ3' ' OE1' ' A' ' 45' ' ' GLN . 94.3 m95 -90.58 -38.41 13.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.013 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -67.94 -30.06 69.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.717 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 16.8 m -46.95 171.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.505 ' N ' HG22 ' A' ' 65' ' ' THR . . . -99.39 171.95 7.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.616 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.1 tp -109.92 17.05 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.878 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.2 -55.72 1.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.878 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 56.96 4.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.76 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.5 mm? -139.4 -43.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.748 ' HB2' HG11 ' A' ' 24' ' ' VAL . 65.1 t0 -28.96 114.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.96 60.15 1.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -165.5 -164.08 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 6.0 mt-10 -146.72 134.53 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.663 HD23 ' HG2' ' A' ' 52' ' ' ARG . 2.4 mt -115.28 133.07 56.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 82.0 mt -113.26 110.43 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.965 HG11 HD21 ' A' ' 38' ' ' LEU . 58.5 t -88.59 132.88 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.536 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -141.13 168.02 20.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.553 HG22 ' SG ' ' A' ' 48' ' ' CYS . 84.8 t -101.88 131.56 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 80' ' ' LEU . 16.6 mt -59.0 138.32 57.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -166.32 136.82 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -107.83 101.98 1.71 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 58.57 4.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.79 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.54 108.81 13.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.7 m 62.69 119.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -129.34 154.04 47.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.1 170.7 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.71 88.5 0.03 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p 179.22 77.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 p -149.5 82.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.21 65.93 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.58 -39.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.547 ' HB ' HG12 ' A' ' 21' ' ' VAL . 12.2 p -151.89 173.03 15.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 t -139.11 149.18 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.74 129.73 39.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' HB ' HG22 ' A' ' 20' ' ' THR . 30.3 t -118.69 111.19 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -80.11 118.25 21.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.565 HD13 ' HD2' ' A' ' 41' ' ' ARG . 9.4 mt -91.17 160.75 36.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 77.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 16' ' ' ASN . 1.2 p30 168.06 42.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 46.39 25.52 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -111.99 163.85 13.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.22 152.78 37.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.421 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.7 t -138.76 133.29 31.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.547 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.6 t -89.32 124.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -114.73 158.25 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.4 m -86.07 148.52 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.364 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.808 HG11 ' HB2' ' A' ' 71' ' ' ASP . 2.5 t -89.3 110.21 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -108.9 -152.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.52 -46.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.06 56.39 2.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.66 ' CG ' HG21 ' A' ' 67' ' ' ILE . 13.1 ptm -178.13 162.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 94.5 p -105.11 -167.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.497 HG13 HD23 ' A' ' 34' ' ' LEU . 98.1 t -76.95 -38.43 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' ASP . 41.2 t80 -58.39 -59.26 5.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.32 -21.38 61.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.06 -62.66 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.652 HD12 HG21 ' A' ' 77' ' ' VAL . 3.5 mm? -67.67 -15.44 63.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.7 t70 -42.01 -55.92 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.549 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -63.36 -56.45 16.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.466 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -39.7 -30.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.933 HD21 HG11 ' A' ' 77' ' ' VAL . 36.0 mt -89.88 -66.47 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' LEU . 15.3 mttt -39.77 -52.76 2.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 36' ' ' LYS . 11.0 p -39.96 -45.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HD2' HD13 ' A' ' 14' ' ' LEU . 5.2 mtp-105 -87.16 -32.43 19.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.52 9.72 20.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.515 HD22 ' SG ' ' A' ' 48' ' ' CYS . 34.7 mt -69.08 -179.55 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -144.19 156.56 44.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -88.5 40.21 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -125.21 -44.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.522 ' O ' HG13 ' A' ' 79' ' ' VAL . 8.5 t -116.61 37.05 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.269 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.515 ' SG ' HD22 ' A' ' 43' ' ' LEU . 91.2 m -139.66 158.73 43.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.258 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.565 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.3 p -148.34 152.9 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.982 HG22 HG22 ' A' ' 77' ' ' VAL . 48.6 t -121.7 123.29 69.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE1' HG13 ' A' ' 49' ' ' VAL . 3.2 m-85 -101.9 140.28 36.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.757 ' HD2' HD21 ' A' ' 75' ' ' LEU . 8.2 mtm-85 -103.63 130.51 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -80.49 101.48 9.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.506 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.7 mp -118.51 96.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 54' ' ' ILE . 0.0 OUTLIER 84.13 -51.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.04 40.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -146.49 142.48 28.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.56 108.6 5.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.476 HG21 HD13 ' A' ' 54' ' ' ILE . 1.2 m -102.3 97.61 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.9 t -43.54 134.34 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.636 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.3 t -110.62 154.76 23.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.808 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -91.96 143.01 26.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.424 ' CH2' HG23 ' A' ' 50' ' ' VAL . 89.0 m95 -69.35 -19.4 63.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -80.0 -39.88 29.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.808 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 4.1 m -38.8 156.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 29' ' ' SER . . . -86.48 163.13 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.67 ' HA ' HD23 ' A' ' 70' ' ' LEU . 8.2 tp -95.74 -6.12 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.808 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -66.26 -52.83 35.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.808 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.96 58.55 4.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.713 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.4 mm? -139.78 -44.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.808 ' HB2' HG11 ' A' ' 24' ' ' VAL . 26.8 t70 -32.07 116.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.13 51.65 3.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -156.98 -166.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 11.0 mt-10 -150.1 114.83 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.757 HD21 ' HD2' ' A' ' 52' ' ' ARG . 20.7 mt -99.06 136.62 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 83.8 mt -114.86 109.38 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.982 HG22 HG22 ' A' ' 50' ' ' VAL . 95.4 t -91.69 111.6 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 25.5 mt-10 -127.54 149.85 49.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 47' ' ' CYS . 99.5 t -77.6 139.82 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -70.49 110.79 5.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.56 155.22 34.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.27 172.43 45.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 110.27 3.09 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.11 126.11 37.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.3 p -97.16 -58.48 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m 61.98 108.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -135.07 158.86 43.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.45 -76.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -102.42 157.5 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -119.43 158.54 25.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.55 178.74 25.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.12 61.23 0.65 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.556 ' HB ' HG12 ' A' ' 21' ' ' VAL . 12.0 p -152.47 178.2 9.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.615 HG23 HG22 ' A' ' 24' ' ' VAL . 39.7 t -141.57 151.89 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -91.4 125.18 36.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.646 HG11 HD11 ' A' ' 34' ' ' LEU . 65.1 t -113.14 106.76 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -77.88 115.89 17.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.453 HD13 ' HE ' ' A' ' 41' ' ' ARG . 9.0 mt -86.11 164.57 38.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -5.36 16.69 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.505 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -92.05 34.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 11.1 pttt 49.03 23.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.13 178.0 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.51 151.24 41.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.5 t -138.24 129.74 27.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.556 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.8 t -83.8 126.61 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 23' ' ' THR . 57.3 t -116.93 162.33 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.439 ' N ' HG12 ' A' ' 22' ' ' VAL . 33.1 m -89.05 141.47 28.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.615 HG22 HG23 ' A' ' 10' ' ' VAL . 2.2 t -90.48 109.91 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -119.13 98.98 6.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.86 82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 170.61 -73.64 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.746 ' O ' HG22 ' A' ' 67' ' ' ILE . 17.7 ptm -46.29 153.21 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -80.01 175.58 10.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.1 t -74.84 -41.85 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ASP . 18.6 t80 -53.79 -55.64 24.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.67 -27.6 66.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -54.73 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.646 HD11 HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -83.59 11.83 6.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -69.85 -54.15 14.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.589 ' O ' HG12 ' A' ' 40' ' ' VAL . 15.7 mmmt -71.17 -48.12 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.545 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -42.37 -33.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.045 HD21 HG11 ' A' ' 77' ' ' VAL . 53.1 mt -90.0 -59.53 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -43.11 -48.23 6.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.7 p -40.54 -33.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.581 ' HG3' HG13 ' A' ' 40' ' ' VAL . 12.3 mtt-85 -103.98 -32.58 9.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.75 8.04 16.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.007 HD22 ' SG ' ' A' ' 48' ' ' CYS . 24.2 mt -66.38 148.53 51.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -101.92 155.27 18.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -89.25 39.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -140.78 -46.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 80' ' ' LEU . 5.4 m -93.18 22.35 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 1.007 ' SG ' HD22 ' A' ' 43' ' ' LEU . 57.9 m -141.13 144.39 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.55 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 3.6 p -127.33 157.63 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.668 ' HB ' HG22 ' A' ' 61' ' ' THR . 47.3 t -124.04 118.49 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.55 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.5 m-85 -98.88 139.85 33.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HG2' HD23 ' A' ' 75' ' ' LEU . 28.4 mtm-85 -98.5 136.69 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.29 102.43 12.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.4 mp -124.88 91.38 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.12 44.7 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.38 51.11 60.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -148.98 107.32 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -57.27 109.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.456 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.6 m -109.3 100.12 9.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.2 t -41.33 135.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.668 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -114.0 162.26 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.438 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.785 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -94.07 159.64 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.625 ' CH2' HG23 ' A' ' 50' ' ' VAL . 59.8 m95 -85.6 -34.76 21.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 107.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -90.89 48.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.785 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 88.6 m -119.09 163.62 16.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.93 143.59 26.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.746 HG22 ' O ' ' A' ' 28' ' ' MET . 0.6 OUTLIER -92.19 18.92 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.891 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -73.42 -57.76 2.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.891 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 51.03 2.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.831 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.7 mm? -130.02 -40.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' A' ' 70' ' ' LEU . 19.2 t0 -32.89 113.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.8 63.16 1.7 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.497 ' OE2' HD12 ' A' ' 75' ' ' LEU . 1.1 pp20? -166.74 -169.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.1 mt-10 -150.56 127.2 10.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.709 HD11 HD12 ' A' ' 70' ' ' LEU . 1.2 mt -109.14 148.62 30.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 95.2 mt -116.37 113.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.045 HG11 HD21 ' A' ' 38' ' ' LEU . 86.4 t -93.58 103.84 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -104.9 160.15 15.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 p -110.64 120.85 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' CYS . 70.5 mt -59.68 103.14 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.28 158.62 21.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.055 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.43 151.53 45.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.68 22.03 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.55 122.2 6.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.4 m -82.06 122.58 28.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.06 104.36 0.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.737 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.63 101.01 9.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.96 -162.23 14.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.96 113.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 110.001 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.58 120.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.54 -125.33 5.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 9' ' ' THR . . . -159.71 62.87 0.3 Allowed Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.659 ' HB ' HG12 ' A' ' 21' ' ' VAL . 6.9 p -156.56 169.62 24.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 0.796 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 24' ' ' VAL . 85.3 t -134.3 145.2 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 23.0 mttt -93.23 132.4 37.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.636 HG11 HD11 ' A' ' 34' ' ' LEU . 66.5 t -120.17 133.36 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -99.04 115.43 28.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.67 163.85 63.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.175 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 87.12 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 165.0 -57.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER 165.65 -29.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -63.66 163.45 11.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.55 157.31 44.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.8 t -135.56 143.43 45.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.659 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.8 t -97.1 126.38 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.61 158.26 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.3 m -89.81 135.4 33.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.363 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.817 HG22 HG23 ' A' ' 10' ' ' VAL . 2.0 t -82.7 109.82 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 16.1 mtp85 -115.01 169.25 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -123.76 81.94 1.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.35 -60.56 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.093 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.606 ' CG ' HG21 ' A' ' 67' ' ' ILE . 17.9 ptm -55.93 162.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.0 p -98.24 177.71 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.502 HG13 HD23 ' A' ' 34' ' ' LEU . 69.3 t -70.36 -33.97 56.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' ASP . 13.3 t80 -61.72 -57.59 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.1 -19.64 61.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.531 ' CB ' HD13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -84.24 -61.89 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.727 HD12 HG21 ' A' ' 77' ' ' VAL . 4.0 mm? -70.76 -7.02 41.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.3 t70 -48.92 -57.87 5.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.677 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -59.71 -56.99 14.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.528 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -38.75 -33.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.087 HD21 HG11 ' A' ' 77' ' ' VAL . 73.3 mt -90.23 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' LEU . 7.5 mttp -39.6 -50.63 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.6 p -39.47 -45.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.2 mtp180 -90.97 -31.13 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.59 10.49 23.24 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.82 HD22 ' SG ' ' A' ' 48' ' ' CYS . 19.5 mt -64.97 169.08 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -117.13 173.06 6.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -107.7 41.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.23 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -140.89 -51.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.8 m -94.65 28.01 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.82 ' SG ' HD22 ' A' ' 43' ' ' LEU . 64.2 m -141.22 143.01 33.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.316 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.563 HG13 ' CE1' ' A' ' 51' ' ' TYR . 7.2 p -125.76 159.7 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.7 ' HB ' HG22 ' A' ' 61' ' ' THR . 56.2 t -126.55 120.12 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.563 ' CE1' HG13 ' A' ' 49' ' ' VAL . 5.9 m-85 -100.56 141.0 34.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.935 ' HA ' HD23 ' A' ' 75' ' ' LEU . 8.9 mtm180 -100.55 132.41 45.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.428 HD21 ' CD1' ' A' ' 76' ' ' ILE . 1.1 mm? -79.85 105.28 11.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -126.95 95.32 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.01 37.57 11.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.32 46.66 62.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -144.94 110.41 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.786 . . . . 0.0 110.28 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HE3' ' CD1' ' A' ' 76' ' ' ILE . 12.9 mptt -57.96 110.88 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.454 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.2 m -108.48 99.77 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' THR . 53.1 t -40.28 143.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.7 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -127.15 163.37 23.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.866 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -100.84 157.8 16.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.55 ' CH2' HG23 ' A' ' 50' ' ' VAL . 86.0 m95 -81.8 -35.84 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -34.31 77.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.866 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 5.9 m -43.89 159.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.77 172.15 8.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.606 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.2 tp -110.52 5.92 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.665 ' N ' ' CD ' ' A' ' 69' ' ' PRO . . . -78.06 -42.25 2.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.873 ' C ' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 52.48 3.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.434 1.754 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.873 HD22 ' C ' ' A' ' 69' ' ' PRO . 4.0 mm? -136.23 -59.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.708 ' HA ' HG11 ' A' ' 24' ' ' VAL . 5.9 t70 58.0 -89.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -124.44 111.8 1.66 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.609 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -174.07 -166.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 2.2 mt-10 -145.84 140.92 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.935 HD23 ' HA ' ' A' ' 52' ' ' ARG . 7.1 mt -124.11 156.15 37.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.443 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 71.6 mt -119.14 116.74 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.087 HG11 HD21 ' A' ' 38' ' ' LEU . 88.6 t -93.2 103.7 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.428 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -102.41 159.27 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.3 p -114.15 117.15 54.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.84 -65.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.88 80.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.52 -87.92 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.1 17.03 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 167.66 -72.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.1 t -138.04 134.94 35.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -159.74 167.37 28.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.99 128.86 34.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.83 111.94 3.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m 47.8 95.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.742 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -48.63 140.96 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.52 -65.31 3.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 9' ' ' THR . . . 170.25 63.62 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.7 ' HB ' HG12 ' A' ' 21' ' ' VAL . 8.0 p -152.89 172.89 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 110.427 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.917 HG23 HG22 ' A' ' 24' ' ' VAL . 90.1 t -138.57 141.92 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -88.0 131.04 34.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.507 HG11 ' CD1' ' A' ' 34' ' ' LEU . 73.2 t -116.92 116.25 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -89.2 111.28 22.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.749 HD13 ' HD2' ' A' ' 41' ' ' ARG . 11.8 mt -83.58 162.78 52.15 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -2.71 12.9 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.449 1.763 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.91 38.67 1.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? 44.83 27.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -122.02 169.57 10.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.32 149.94 40.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.8 t -141.52 133.81 28.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.7 HG12 ' HB ' ' A' ' 9' ' ' THR . 2.7 t -90.13 129.83 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.9 t -120.99 153.66 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 m -75.85 144.29 41.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.917 HG22 HG23 ' A' ' 10' ' ' VAL . 2.2 t -90.88 109.83 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.631 ' O ' HG23 ' A' ' 67' ' ' ILE . 0.7 OUTLIER -113.62 133.27 55.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -98.1 49.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.11 38.8 0.29 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.909 ' O ' HG22 ' A' ' 67' ' ' ILE . 17.3 ptm -167.81 148.97 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 0.788 . . . . 0.0 110.998 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -73.54 -171.92 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG13 HD23 ' A' ' 34' ' ' LEU . 72.4 t -87.52 -33.9 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' ASP . 57.0 t80 -56.93 -59.69 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.33 -25.15 61.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.45 -62.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.585 HD23 HG13 ' A' ' 30' ' ' VAL . 3.2 mm? -67.37 -10.78 54.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.9 t70 -48.52 -59.37 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.554 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -63.24 -54.66 33.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.506 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -39.66 -36.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.04 HD21 HG11 ' A' ' 77' ' ' VAL . 80.8 mt -90.14 -57.57 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -40.61 -50.77 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.1 p -39.36 -42.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.749 ' HD2' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -94.45 -31.55 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.87 6.88 22.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.659 HD22 ' SG ' ' A' ' 48' ' ' CYS . 25.3 mt -67.46 140.03 57.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -100.06 160.34 14.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -94.72 39.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.35 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.05 -45.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.6 t -109.68 35.71 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.246 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.659 ' SG ' HD22 ' A' ' 43' ' ' LEU . 23.5 m -140.92 144.28 35.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.524 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.5 p -129.93 150.04 34.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.628 ' HB ' HG22 ' A' ' 61' ' ' THR . 39.8 t -117.31 129.25 74.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.524 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 4.4 m-85 -107.98 140.83 40.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.674 ' HD2' HD21 ' A' ' 75' ' ' LEU . 9.8 mtm-85 -99.6 146.76 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.13 102.46 15.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -125.33 93.39 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.08 42.34 12.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.81 52.01 46.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -149.28 110.3 4.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 0.754 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 103.25 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.437 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 2.0 m -103.7 101.71 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.2 t -39.45 157.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.628 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -139.23 158.9 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.739 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -87.56 162.21 17.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -88.98 -24.98 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -93.43 34.15 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.739 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 15.5 m -104.46 160.26 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.68 152.36 23.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.909 HG22 ' O ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -101.04 19.87 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.879 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -79.02 -57.23 0.78 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.879 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 54.47 3.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.794 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.5 mm? -136.33 -43.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 70' ' ' LEU . 24.9 t0 -31.77 106.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.6 57.89 1.09 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -164.77 -165.55 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.4 mt-10 -154.3 124.51 6.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.674 HD21 ' HD2' ' A' ' 52' ' ' ARG . 19.9 mt -104.75 150.01 25.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.8 mt -118.46 116.35 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.04 HG11 HD21 ' A' ' 38' ' ' LEU . 98.3 t -93.94 127.78 45.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.493 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -136.74 169.45 17.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 110.316 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.6 HG22 ' SG ' ' A' ' 48' ' ' CYS . 42.1 t -102.09 134.81 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.1 mt -67.15 158.12 32.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.8 m 58.61 83.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -111.8 -163.85 17.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 110.18 3.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.542 1.811 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.69 149.07 32.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 m -65.12 129.22 38.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.12 112.9 18.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.994 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 p -162.75 167.09 23.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.04 101.91 2.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.01 162.91 40.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.53 77.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.31 -77.72 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.54 55.15 4.99 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.636 ' HB ' HG12 ' A' ' 21' ' ' VAL . 3.3 p -148.43 171.16 16.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.3 t -139.39 145.2 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.6 132.02 37.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.95 HG11 HD11 ' A' ' 34' ' ' LEU . 89.0 t -120.63 115.03 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -81.38 118.53 22.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' A' ' 41' ' ' ARG . 11.5 mt -88.22 161.55 42.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.98 4.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -160.78 30.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt 57.07 17.53 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.05 170.44 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.242 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.9 154.36 41.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.409 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.7 t -138.17 134.18 34.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.636 HG12 ' HB ' ' A' ' 9' ' ' THR . 3.4 t -88.0 132.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 t -125.79 151.47 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.9 m -80.9 143.41 32.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' A' ' 71' ' ' ASP . 1.2 t -87.44 109.76 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.5 OUTLIER -111.78 128.38 56.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -86.26 73.78 10.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -179.61 -67.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.595 ' CG ' HG21 ' A' ' 67' ' ' ILE . 13.2 ptm -54.49 169.68 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 0.76 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 1.2 p -109.84 175.81 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.44 -41.47 92.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' ASP . 11.1 t80 -60.26 -54.59 43.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -18.27 57.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.7 -59.2 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.958 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.95 HD11 HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -74.51 -2.02 23.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' TYR . 4.6 t70 -53.36 -50.87 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.636 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -75.07 -54.29 7.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.506 ' CB ' HD13 ' A' ' 34' ' ' LEU . . . -38.31 -33.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.895 HD21 HG11 ' A' ' 77' ' ' VAL . 21.6 mt -87.9 -63.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.4 mttp -43.22 -53.27 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.636 HG12 ' O ' ' A' ' 36' ' ' LYS . 12.7 p -41.05 -42.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.429 ' HD2' HD13 ' A' ' 14' ' ' LEU . 22.7 mtp85 -87.98 -27.26 22.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 104.53 12.61 28.2 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.811 HD22 ' SG ' ' A' ' 48' ' ' CYS . 34.4 mt -73.79 171.5 13.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -122.04 169.39 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -99.16 39.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -142.45 -47.08 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' LEU . 11.2 p -93.67 23.02 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.811 ' SG ' HD22 ' A' ' 43' ' ' LEU . 78.7 m -141.36 145.81 35.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 108.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.602 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.1 p -135.69 156.4 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.892 HG22 HG22 ' A' ' 77' ' ' VAL . 57.7 t -120.8 125.04 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CE1' HG13 ' A' ' 49' ' ' VAL . 4.8 m-85 -104.47 137.29 42.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.526 ' HA ' HD23 ' A' ' 75' ' ' LEU . 4.3 mtm105 -95.53 143.71 26.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.41 99.44 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -119.98 93.67 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.7 34.55 12.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.98 49.11 23.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -146.12 110.73 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.25 108.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.2 m -110.25 99.15 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.513 HG13 ' CG2' ' A' ' 49' ' ' VAL . 97.2 t -40.42 141.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.59 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -124.31 138.2 54.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.595 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -69.91 159.37 33.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -81.71 -30.84 32.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 107.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.46 -24.93 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.595 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 3.8 m -48.36 159.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.393 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 29' ' ' SER . . . -98.31 169.46 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.763 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.5 tp -110.57 6.08 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.786 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.04 -52.75 1.84 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.1 Cg_endo -75.07 57.82 4.74 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.762 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.763 HD23 ' HA ' ' A' ' 67' ' ' ILE . 3.3 mm? -136.9 -54.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 6.0 t0 50.87 -92.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -114.75 121.32 5.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.57 -168.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -142.86 140.18 31.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.527 HD22 HG12 ' A' ' 50' ' ' VAL . 12.7 mt -125.77 140.11 52.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 94.9 mt -111.39 114.09 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.895 HG11 HD21 ' A' ' 38' ' ' LEU . 91.6 t -95.32 108.37 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -110.59 161.56 15.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 p -108.99 117.06 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 47' ' ' CYS . 46.5 mt -66.36 125.9 27.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.3 t -164.53 147.61 8.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.42 -161.75 5.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.05 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.72 107.63 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.7 p -102.9 140.77 36.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -67.99 114.67 6.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 0.728 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.96 153.6 18.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.45 -118.74 2.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -57.52 -58.81 6.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.83 158.28 25.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.016 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' N ' ' OD1' ' A' ' 71' ' ' ASP . . . -104.05 -105.17 2.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.635 ' O ' HG23 ' A' ' 9' ' ' THR . . . -155.64 -43.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 8' ' ' GLY . 2.5 p -157.97 167.99 28.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.425 HG23 HG22 ' A' ' 24' ' ' VAL . 24.9 t -140.02 149.01 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -91.55 129.59 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.5 HG11 ' CD1' ' A' ' 34' ' ' LEU . 71.7 t -116.32 112.65 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -84.17 116.42 22.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.451 HD21 ' O ' ' A' ' 37' ' ' ALA . 10.9 mt -88.68 159.15 47.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 70.36 5.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.5 t-20 175.01 51.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER 38.73 30.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' ASN . 2.1 mt-30 -118.14 159.97 22.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.57 150.57 34.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 t -141.19 134.02 28.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.368 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.588 HG12 ' HB ' ' A' ' 9' ' ' THR . 2.2 t -86.48 133.43 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -124.89 160.2 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 m -77.4 156.58 31.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 71' ' ' ASP . 8.9 t -97.64 109.64 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.555 ' O ' HG23 ' A' ' 67' ' ' ILE . 1.0 OUTLIER -108.33 149.33 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -121.03 79.68 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.03 -63.9 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.572 ' O ' HG22 ' A' ' 67' ' ' ILE . 12.9 ptm -54.51 162.42 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -85.7 177.79 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.49 HG13 HD23 ' A' ' 34' ' ' LEU . 73.8 t -77.05 -32.9 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 35' ' ' ASP . 13.1 t80 -59.55 -56.56 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.52 -24.54 66.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.503 ' CB ' HD13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -78.08 -60.31 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.688 HD12 HG21 ' A' ' 77' ' ' VAL . 4.0 mm? -74.14 -3.05 27.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 31' ' ' TYR . 5.9 t0 -52.03 -53.08 46.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -65.82 -56.56 11.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' O ' HD21 ' A' ' 14' ' ' LEU . . . -38.3 -32.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.036 HD21 HG11 ' A' ' 77' ' ' VAL . 52.9 mt -89.58 -62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' GLY . 15.0 mttt -39.56 -53.55 2.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 36' ' ' LYS . 14.7 p -39.0 -45.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' LEU . 22.3 mtp85 -88.92 -27.54 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 103.68 10.58 35.03 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.694 HD22 ' SG ' ' A' ' 48' ' ' CYS . 24.8 mt -65.05 177.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -130.7 157.81 41.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 35' ' ' ASP . 9.9 mp0 -92.37 40.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -138.26 -50.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.6 m -98.01 30.96 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.694 ' SG ' HD22 ' A' ' 43' ' ' LEU . 81.3 m -140.99 151.87 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 108.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.61 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.3 p -136.64 155.04 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.51 ' HB ' HG22 ' A' ' 61' ' ' THR . 26.0 t -121.82 129.76 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.61 ' CE1' HG13 ' A' ' 49' ' ' VAL . 2.7 m-85 -109.14 143.1 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG2' HD23 ' A' ' 75' ' ' LEU . 37.4 mtm180 -115.15 141.4 48.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.593 HD21 ' HD2' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -90.54 96.47 10.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.691 HD13 HG21 ' A' ' 59' ' ' THR . 1.5 mp -98.55 -72.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -107.81 37.86 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.63 33.04 58.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.2 144.33 34.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.299 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.593 ' HD2' HD21 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.23 97.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.691 HG21 HD13 ' A' ' 54' ' ' ILE . 29.3 m -97.45 97.7 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.9 t -44.16 156.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.51 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -138.33 155.87 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.676 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -83.75 162.49 20.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.499 ' CH2' HG23 ' A' ' 50' ' ' VAL . 94.3 m95 -88.68 -44.05 10.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.28 -25.5 65.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.676 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 18.9 m -48.8 170.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 65' ' ' THR . . . -97.67 169.68 9.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.605 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.1 tp -106.83 7.75 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.879 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -71.99 -55.6 5.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.879 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -74.95 57.02 4.4 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.534 1.808 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.774 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.5 mm? -140.79 -44.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.8 t0 -29.08 120.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.46 58.27 2.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.548 ' OE2' HD12 ' A' ' 75' ' ' LEU . 2.2 pp20? -162.14 -169.25 2.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 11.2 mt-10 -147.42 113.94 5.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.573 HD23 ' HG2' ' A' ' 52' ' ' ARG . 1.5 mt -95.18 139.4 31.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 76.6 mt -114.82 113.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.036 HG11 HD21 ' A' ' 38' ' ' LEU . 69.6 t -91.39 130.97 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.35 172.0 13.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.0 t -100.61 132.17 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.505 HD21 ' HB ' ' A' ' 49' ' ' VAL . 8.9 mt -74.19 -64.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.77 108.6 16.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.91 -84.93 0.19 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 119.17 5.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -48.96 137.09 13.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.011 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.4 p -78.56 -58.53 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.582 HG23 HG22 ' A' ' 24' ' ' VAL . 9.4 t -142.05 147.76 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 28.4 mttt -96.94 131.14 44.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.437 HG11 ' CD1' ' A' ' 34' ' ' LEU . 24.7 t -116.11 121.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -94.95 112.33 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.447 HD21 ' O ' ' A' ' 37' ' ' ALA . 12.8 mt -85.69 162.66 46.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HG2' HD11 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.02 -6.75 18.43 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.567 ' CB ' ' CZ ' ' A' ' 41' ' ' ARG . 1.3 t-20 -91.39 39.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 43.1 28.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 16' ' ' ASN . 2.9 mt-30 -122.33 168.7 11.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -141.89 151.37 42.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 t -140.97 135.06 30.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 2.9 t -91.88 131.85 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 23' ' ' THR . 22.5 t -122.3 162.89 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.419 ' N ' HG12 ' A' ' 22' ' ' VAL . 40.9 m -86.88 141.44 28.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.582 HG22 HG23 ' A' ' 10' ' ' VAL . 1.8 t -87.95 110.09 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 19.9 mtp85 -110.83 153.13 25.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -108.23 69.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -179.85 -59.99 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.562 ' O ' HG22 ' A' ' 67' ' ' ILE . 11.8 ptm -56.22 165.03 1.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 0.753 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.8 p -101.89 -173.76 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -76.93 -34.22 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 38.4 t80 -64.24 -57.02 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.1 -16.83 48.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.01 -62.16 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.834 HD12 HG21 ' A' ' 77' ' ' VAL . 3.9 mm? -69.36 -10.26 57.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.6 t70 -44.18 -70.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' O ' HG12 ' A' ' 40' ' ' VAL . 8.2 mmmm -55.4 -49.73 71.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.551 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -40.12 -30.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.96 HD21 HG11 ' A' ' 77' ' ' VAL . 37.3 mt -90.39 -59.38 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' VAL . 28.3 mmtt -43.67 -48.28 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.559 HG13 ' HG3' ' A' ' 41' ' ' ARG . 7.3 p -39.85 -31.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CZ ' ' CB ' ' A' ' 16' ' ' ASN . 3.3 mtt-85 -108.74 -30.58 8.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.2 5.01 23.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.886 HD22 ' SG ' ' A' ' 48' ' ' CYS . 21.3 mt -60.58 -177.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -152.01 157.32 41.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -88.28 41.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.67 -43.88 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.1 t -119.71 38.37 3.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.886 ' SG ' HD22 ' A' ' 43' ' ' LEU . 95.4 m -141.04 152.21 44.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.615 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 3.5 p -137.33 155.53 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.754 ' HB ' HG22 ' A' ' 61' ' ' THR . 42.2 t -122.61 126.45 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.615 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 4.5 m-85 -107.24 142.85 36.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.542 ' HA ' HD23 ' A' ' 75' ' ' LEU . 10.6 mtm180 -102.07 152.23 21.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -94.32 103.03 15.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.3 mp -127.7 108.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? 57.16 24.18 9.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.73 46.72 7.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -143.74 125.63 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 97.11 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -97.87 104.99 17.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.436 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -40.32 151.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.754 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.1 t -130.95 161.01 32.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.849 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -92.84 161.9 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.521 ' CH2' HG23 ' A' ' 50' ' ' VAL . 92.8 m95 -88.72 -41.9 12.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -63.03 -32.48 73.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.849 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 95.9 m -45.03 165.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.55 162.14 13.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.625 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -104.51 -1.68 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.862 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -60.63 -55.14 47.86 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.862 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.97 55.33 3.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.797 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.0 mm? -145.23 34.06 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 71' ' ' ASP . 4.5 t0 -74.66 118.13 17.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.1 83.38 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -170.26 -170.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 110.344 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 4.6 mt-10 -153.85 133.66 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 52' ' ' ARG . 9.9 mt -112.08 149.78 31.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 89.1 mt -116.07 114.33 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.96 HG11 HD21 ' A' ' 38' ' ' LEU . 58.2 t -96.06 116.92 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.461 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -124.72 172.13 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.7 t -101.02 129.39 52.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.1 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 23' ' ' THR . 5.9 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.507 HG23 HG22 ' A' ' 24' ' ' VAL . 39.2 t -145.08 146.4 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HG3' HG13 ' A' ' 21' ' ' VAL . 6.1 mttt -92.68 131.05 38.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.742 HG11 HD11 ' A' ' 34' ' ' LEU . 76.7 t -116.01 120.92 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -90.5 111.17 22.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 mt -83.64 164.75 43.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.67 20.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.524 ' ND2' ' CZ ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -89.65 42.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt 40.1 29.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' ASN . 3.6 mt-30 -123.38 169.56 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 150.36 43.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.248 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -139.77 131.27 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.429 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.458 HG13 ' HG3' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -90.22 120.82 39.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.59 160.33 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.409 ' HA ' HG22 ' A' ' 9' ' ' THR . 53.9 m -87.27 140.7 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.507 HG22 HG23 ' A' ' 10' ' ' VAL . 2.2 t -83.0 109.3 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 2.1 mtt180 -106.6 155.52 19.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -116.36 84.94 2.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.49 -66.18 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.734 ' HG3' HG21 ' A' ' 67' ' ' ILE . 8.3 ptm -58.3 176.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -111.58 176.08 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 66' ' ' ALA . 92.9 t -63.73 -38.28 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.64 ' CD2' ' OE1' ' A' ' 45' ' ' GLN . 11.1 t80 -60.24 -56.23 24.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.15 -23.91 66.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.02 -62.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.742 HD11 HG11 ' A' ' 12' ' ' VAL . 3.6 mm? -68.42 -11.83 60.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' TYR . 6.4 t70 -45.14 -60.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.429 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -63.06 -55.43 25.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.532 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -39.33 -33.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.864 HD21 HG11 ' A' ' 77' ' ' VAL . 54.2 mt -90.98 -58.95 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -39.57 -49.22 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 37' ' ' ALA . 7.4 p -39.12 -44.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.524 ' CZ ' ' ND2' ' A' ' 16' ' ' ASN . 4.5 mtt-85 -96.46 -26.98 15.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.51 16.42 22.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.442 1.089 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.904 HD22 ' SG ' ' A' ' 48' ' ' CYS . 18.7 mt -65.66 126.14 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.795 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.4 134.69 36.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.64 ' OE1' ' CD2' ' A' ' 31' ' ' TYR . 14.4 mt-30 -77.48 56.59 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -155.31 -45.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.2 m -92.53 16.35 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.904 ' SG ' HD22 ' A' ' 43' ' ' LEU . 53.4 m -133.86 147.34 51.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.33 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.517 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.7 p -128.57 160.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.619 ' HB ' HG22 ' A' ' 61' ' ' THR . 40.9 t -126.17 129.3 72.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.54 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.8 m-85 -109.52 140.2 43.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.674 ' HA ' HD23 ' A' ' 75' ' ' LEU . 10.0 mtm-85 -95.6 138.86 32.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.53 100.2 11.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.496 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -122.73 93.41 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.04 39.46 13.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.95 50.35 47.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -146.84 106.86 3.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.45 103.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.3 m -104.02 101.68 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' THR . 99.3 t -39.5 135.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.619 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -114.23 159.56 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.75 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -99.84 135.95 40.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.604 ' CE3' ' OE1' ' A' ' 45' ' ' GLN . 95.0 m95 -59.75 -43.33 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 108.003 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' THR . 22.7 m-20 -54.29 -39.6 67.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.75 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 8.0 m -38.51 155.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -85.62 178.22 7.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.77 ' HA ' HD23 ' A' ' 70' ' ' LEU . 2.4 tp -120.07 9.67 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.901 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.97 -56.1 1.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.06 55.17 3.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.77 HD23 ' HA ' ' A' ' 67' ' ' ILE . 3.1 mm? -137.8 32.88 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -78.79 125.25 29.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.088 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.86 78.6 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.435 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 2.4 pp20? -161.84 -176.3 5.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 2.4 mt-10 -151.8 115.04 4.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' A' ' 52' ' ' ARG . 10.3 mt -97.15 150.47 20.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.6 mt -117.88 111.94 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.864 HG11 HD21 ' A' ' 38' ' ' LEU . 43.8 t -94.2 110.25 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.54 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.4 mt-10 -110.97 161.4 15.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 p -109.46 124.36 66.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.575 ' HB ' HG12 ' A' ' 21' ' ' VAL . 13.8 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.452 HG23 HG22 ' A' ' 24' ' ' VAL . 53.1 t -140.6 152.64 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -91.99 127.91 37.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 19' ' ' ARG . 25.3 t -114.5 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -89.7 110.78 21.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.493 HD13 ' HD2' ' A' ' 41' ' ' ARG . 8.7 mt -82.72 164.14 48.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -8.04 19.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -91.16 40.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 42.05 28.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 16' ' ' ASN . 2.2 mt-30 -121.89 170.58 9.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -140.96 151.05 43.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 t -141.44 136.71 31.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.575 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.6 t -87.21 124.43 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.6 t -111.17 156.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.3 m -89.53 138.29 31.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.69 HG12 ' OD1' ' A' ' 26' ' ' ASP . 1.4 t -88.55 110.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -96.8 -29.97 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.69 ' OD1' HG12 ' A' ' 24' ' ' VAL . 25.2 m-20 60.51 115.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.64 -61.26 0.58 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.414 ' SD ' ' HB2' ' A' ' 25' ' ' ARG . 20.8 ptm -55.92 165.74 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -76.46 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.525 HG13 HD23 ' A' ' 34' ' ' LEU . 58.2 t -83.19 -26.85 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 21.8 t80 -61.3 -59.42 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -61.26 -25.14 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.78 -62.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.791 HD12 HG21 ' A' ' 77' ' ' VAL . 4.2 mm? -70.28 -9.78 57.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.5 t70 -46.65 -71.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.75 -52.7 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.536 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -41.96 -30.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.041 HD21 HG11 ' A' ' 77' ' ' VAL . 49.1 mt -91.88 -55.82 3.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.0 mmmt -43.42 -47.65 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 37' ' ' ALA . 7.3 p -39.07 -34.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.506 ' HG3' HG13 ' A' ' 40' ' ' VAL . 1.9 mtt85 -107.72 -27.36 10.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.67 9.24 33.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.421 1.075 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.91 HD22 ' SG ' ' A' ' 48' ' ' CYS . 16.3 mt -57.94 159.14 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -108.0 156.85 18.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.411 ' HG3' HD12 ' A' ' 38' ' ' LEU . 14.7 mp0 -94.74 40.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.94 -47.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.1 m -95.58 27.13 3.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.91 ' SG ' HD22 ' A' ' 43' ' ' LEU . 86.5 m -141.07 149.15 41.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 108.266 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.562 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.6 p -133.73 163.54 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.536 ' HB ' HG22 ' A' ' 61' ' ' THR . 40.2 t -128.73 124.84 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.2 m-85 -105.88 142.57 35.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.7 ' HG2' HD23 ' A' ' 75' ' ' LEU . 18.9 mtm180 -120.43 137.3 54.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 100.28 9.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.73 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.1 mp -100.73 -66.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.489 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -120.86 49.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.25 21.02 71.81 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -132.81 140.25 47.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.99 98.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.73 ' HB ' HD13 ' A' ' 54' ' ' ILE . 11.8 m -95.64 100.04 11.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.423 HG13 HG23 ' A' ' 49' ' ' VAL . 75.2 t -47.46 159.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.536 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.1 t -133.16 159.09 41.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.902 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -90.17 147.92 23.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.401 ' CH2' HG23 ' A' ' 50' ' ' VAL . 89.2 m95 -73.87 -24.3 59.72 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -78.85 -35.69 43.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.902 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 33.5 m -40.47 161.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.12 158.96 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.684 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -97.84 18.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.86 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -78.71 -55.75 0.98 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.86 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 55.06 3.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.6 mm? -137.66 -43.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.505 ' HB2' HG11 ' A' ' 24' ' ' VAL . 15.3 t70 -32.69 110.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.84 57.32 1.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.599 ' OE2' HD12 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -161.87 -167.86 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.777 . . . . 0.0 110.277 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.9 mt-10 -148.23 120.16 8.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.7 HD23 ' HG2' ' A' ' 52' ' ' ARG . 1.2 mp -102.87 147.07 27.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 92.0 mt -118.3 111.09 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.041 HG11 HD21 ' A' ' 38' ' ' LEU . 57.2 t -91.87 113.8 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.7 mt-10 -115.27 161.54 18.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 p -110.57 121.9 64.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 90.0 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.928 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.716 ' HB ' HG12 ' A' ' 21' ' ' VAL . 13.3 p . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.684 HG23 HG22 ' A' ' 24' ' ' VAL . 89.3 t -138.4 141.45 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -85.36 125.53 33.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 19' ' ' ARG . 25.3 t -111.33 113.11 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -83.7 114.03 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.587 HD13 ' HD2' ' A' ' 41' ' ' ARG . 9.6 mt -87.71 158.72 50.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HG2' HD11 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.0 70.69 5.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.5 t-20 174.72 51.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER 38.5 31.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 16' ' ' ASN . 6.2 mt-30 -118.7 158.99 24.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 3.7 ptt180 -145.3 150.83 37.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -141.11 129.1 21.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.716 HG12 ' HB ' ' A' ' 9' ' ' THR . 2.2 t -84.11 128.84 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.52 156.57 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.4 m -83.54 143.52 30.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.684 HG22 HG23 ' A' ' 10' ' ' VAL . 1.9 t -92.45 109.55 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -114.18 111.17 21.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -71.7 64.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.17 -52.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.55 ' O ' HG22 ' A' ' 67' ' ' ILE . 14.6 ptm -67.1 164.95 16.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 0.725 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -97.86 177.68 5.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -72.98 -43.2 59.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' ASP . 55.2 t80 -55.25 -55.74 27.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -60.05 -23.4 63.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.11 -62.39 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.66 HD12 HG21 ' A' ' 77' ' ' VAL . 3.4 mm? -67.09 -10.97 55.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' TYR . 9.1 t0 -49.18 -52.08 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.536 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -74.28 -50.58 18.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.531 ' CB ' HD13 ' A' ' 34' ' ' LEU . . . -39.68 -30.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.007 HD21 HG11 ' A' ' 77' ' ' VAL . 60.0 mt -90.95 -57.76 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -40.73 -51.3 3.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 36' ' ' LYS . 5.3 p -38.61 -42.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.587 ' HD2' HD13 ' A' ' 14' ' ' LEU . 2.9 mtt-85 -96.13 -25.01 16.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 103.51 9.33 38.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.592 HD22 ' SG ' ' A' ' 48' ' ' CYS . 25.8 mt -67.17 160.95 25.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -121.07 163.27 18.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -95.01 41.39 1.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.91 -52.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 t -105.94 37.2 2.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.592 ' SG ' HD22 ' A' ' 43' ' ' LEU . 92.7 m -140.55 160.33 40.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 108.343 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.586 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.6 p -150.08 152.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.77 HG22 HG22 ' A' ' 77' ' ' VAL . 27.4 t -120.21 126.11 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.586 ' CE1' HG13 ' A' ' 49' ' ' VAL . 3.2 m-85 -104.99 143.47 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.524 ' NH1' HD11 ' A' ' 70' ' ' LEU . 6.3 mtm180 -102.64 140.94 36.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.46 105.42 14.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -126.53 94.31 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.3 37.32 11.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.13 51.92 30.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -150.98 110.29 3.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.35 110.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.465 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.1 m -111.63 97.58 6.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.467 HG13 ' CG2' ' A' ' 49' ' ' VAL . 65.3 t -39.49 149.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.492 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -125.97 163.74 22.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.882 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -91.19 162.63 14.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.53 ' CH2' HG23 ' A' ' 50' ' ' VAL . 90.6 m95 -91.74 -20.47 21.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.06 21.21 8.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.882 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 13.9 m -96.46 159.26 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.54 154.07 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.701 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -101.74 16.85 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.881 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.13 -55.83 1.33 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.881 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -74.94 55.18 3.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.866 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.4 mm? -141.24 36.73 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.47 99.44 8.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.52 86.81 0.97 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.571 ' OE2' HG11 ' A' ' 10' ' ' VAL . 2.3 pp20? -170.04 -167.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -152.41 119.9 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.753 HD22 HG12 ' A' ' 50' ' ' VAL . 46.3 mt -97.34 137.52 36.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.1 mt -114.13 109.84 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.007 HG11 HD21 ' A' ' 38' ' ' LEU . 62.1 t -93.0 110.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 20.6 mt-10 -125.02 150.04 47.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.72 139.92 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.5 mt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.746 ' HB ' HG12 ' A' ' 21' ' ' VAL . 7.6 p . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.694 HG21 ' O ' ' A' ' 70' ' ' LEU . 71.0 t -136.86 139.19 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -85.26 125.98 33.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.572 HG11 HD11 ' A' ' 34' ' ' LEU . 56.9 t -112.46 110.86 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -78.39 117.16 19.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 mt -89.22 160.38 42.87 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 70.39 5.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 18' ' ' GLN . 2.3 t30 174.04 51.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 38.61 31.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' ASN . 3.6 mt-30 -118.07 163.81 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.91 150.3 32.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.409 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.8 t -138.96 126.74 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.384 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.746 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.5 t -83.98 124.53 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 t -117.51 151.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.8 m -72.93 151.5 41.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.737 HG11 ' HA ' ' A' ' 71' ' ' ASP . 2.1 t -98.59 109.79 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.68 -157.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -146.73 -48.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.23 58.05 2.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.468 ' CE ' ' OG ' ' A' ' 33' ' ' SER . 19.3 ptm -177.3 158.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 0.724 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 p -99.98 -176.72 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.951 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.714 HG13 HD23 ' A' ' 34' ' ' LEU . 72.6 t -74.15 -33.59 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 17.3 t80 -59.66 -59.27 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.04 -22.75 66.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.468 ' OG ' ' CE ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -78.89 -62.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.714 HD23 HG13 ' A' ' 30' ' ' VAL . 3.8 mm? -68.3 -14.57 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 6.0 t0 -41.98 -57.3 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.66 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -63.03 -58.46 7.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.516 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -39.39 -30.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.909 HD21 HG11 ' A' ' 77' ' ' VAL . 25.3 mt -89.08 -63.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' GLY . 13.4 mttt -39.53 -52.5 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.66 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.5 p -39.2 -48.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 16' ' ' ASN . 25.1 mtp180 -87.84 -24.61 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 99.96 12.53 39.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.911 HD22 ' SG ' ' A' ' 48' ' ' CYS . 34.1 mt -68.27 167.61 14.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.795 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.531 ' ND2' ' H ' ' A' ' 45' ' ' GLN . 2.9 t30 -117.59 172.63 7.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.531 ' H ' ' ND2' ' A' ' 44' ' ' ASN . 15.2 mp0 -103.72 42.58 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.76 -46.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.2 m -93.33 21.98 5.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.282 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.911 ' SG ' HD22 ' A' ' 43' ' ' LEU . 82.2 m -141.12 157.31 45.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 108.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.587 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 3.4 p -141.38 160.56 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.641 ' HB ' HG22 ' A' ' 61' ' ' THR . 21.4 t -128.04 124.07 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.587 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 3.4 m-85 -105.12 142.63 34.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.507 ' HG2' HD23 ' A' ' 75' ' ' LEU . 42.2 mtp180 -109.89 133.2 53.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.443 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -78.32 105.13 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 59' ' ' THR . 1.7 mp -123.61 101.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 54' ' ' ILE . 0.0 OUTLIER 82.78 -53.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.15 40.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -149.67 143.95 25.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 0.754 . . . . 0.0 110.353 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -71.14 110.12 5.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 15.9 m -105.53 95.54 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.6 t -43.01 148.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.641 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -124.09 156.07 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.832 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -88.45 145.61 25.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.537 ' CH2' HG23 ' A' ' 50' ' ' VAL . 84.4 m95 -71.06 -19.81 62.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.03 29.04 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.832 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 1.9 m -102.59 151.27 22.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.65 160.56 29.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.604 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -113.29 22.9 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.929 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -79.84 -58.67 0.6 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 1.005 ' C ' HD22 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.02 51.23 2.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.005 HD22 ' C ' ' A' ' 69' ' ' PRO . 2.2 mm? -141.89 30.13 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.737 ' HA ' HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -59.26 -75.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.51 96.55 1.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.545 ' OE2' HD12 ' A' ' 75' ' ' LEU . 1.7 pp20? -169.71 -173.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 5.1 mt-10 -147.33 113.66 5.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.545 HD12 ' OE2' ' A' ' 73' ' ' GLU . 1.1 mt -91.67 143.16 26.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 61.4 mt -117.35 113.01 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.909 HG11 HD21 ' A' ' 38' ' ' LEU . 49.3 t -93.62 113.44 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.8 mt-10 -115.05 161.43 18.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 p -111.53 119.31 59.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.789 ' HB ' HG12 ' A' ' 21' ' ' VAL . 9.7 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.811 HG23 HG22 ' A' ' 24' ' ' VAL . 93.3 t -138.13 143.47 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -84.5 126.22 33.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.562 HG11 ' CD1' ' A' ' 34' ' ' LEU . 55.2 t -115.3 112.46 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -82.57 115.5 21.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.955 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.476 HD13 ' HD2' ' A' ' 41' ' ' ARG . 9.8 mt -86.15 164.62 37.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -5.23 16.54 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.787 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.497 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -92.42 34.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 37.0 pttt 49.17 23.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -117.56 177.34 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 151.31 38.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -140.36 132.82 28.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.431 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.789 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.4 t -87.19 123.41 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 23' ' ' THR . 83.8 t -110.62 160.64 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.41 ' N ' HG12 ' A' ' 22' ' ' VAL . 88.7 m -82.07 148.05 28.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.811 HG22 HG23 ' A' ' 10' ' ' VAL . 4.2 t -98.83 109.77 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 11.6 mtp180 -115.92 158.99 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -115.56 82.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.47 -64.96 0.19 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.633 ' CG ' HG21 ' A' ' 67' ' ' ILE . 15.1 ptm -52.06 169.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.0 p -101.89 -172.43 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.456 HG13 HD23 ' A' ' 34' ' ' LEU . 74.6 t -80.42 -31.56 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASP . 15.2 t80 -64.49 -57.11 10.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.6 -19.6 62.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.607 ' CB ' HD13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -84.14 -62.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.804 HD12 HG21 ' A' ' 77' ' ' VAL . 4.1 mm? -70.57 -7.97 47.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.1 t70 -46.62 -73.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.424 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.6 -50.19 63.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -39.9 -30.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.894 HD21 HG11 ' A' ' 77' ' ' VAL . 36.4 mt -91.49 -57.66 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 40' ' ' VAL . 21.5 mmmt -42.36 -48.28 5.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 37' ' ' ALA . 7.2 p -38.95 -35.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.476 ' HD2' HD13 ' A' ' 14' ' ' LEU . 3.4 mtt85 -106.24 -28.07 10.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.46 10.47 29.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.851 HD22 ' SG ' ' A' ' 48' ' ' CYS . 20.3 mt -60.82 167.53 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.445 ' ND2' ' N ' ' A' ' 45' ' ' GLN . 1.8 t30 -114.29 163.75 14.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.531 ' HG3' HD12 ' A' ' 38' ' ' LEU . 7.4 mp0 -101.06 41.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.418 ' N ' HD22 ' A' ' 44' ' ' ASN . 33.6 t0 -146.37 -46.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 56.1 m -92.62 22.08 4.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.331 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.851 ' SG ' HD22 ' A' ' 43' ' ' LEU . 62.7 m -140.94 146.09 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.55 HG13 ' CE1' ' A' ' 51' ' ' TYR . 6.3 p -130.15 163.63 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 77' ' ' VAL . 47.7 t -128.58 124.48 61.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 5.1 m-85 -103.59 142.02 35.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.582 ' HG2' HD23 ' A' ' 75' ' ' LEU . 24.1 mtm180 -117.26 145.06 44.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.58 95.67 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.915 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.5 mp -92.79 -70.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.544 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -119.05 51.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.56 31.18 77.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.25 140.85 28.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HE3' ' CD1' ' A' ' 76' ' ' ILE . 4.2 mttp -62.72 110.05 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.915 ' HB ' HD13 ' A' ' 54' ' ' ILE . 2.1 m -108.85 104.7 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.485 HG13 ' CG2' ' A' ' 49' ' ' VAL . 72.7 t -47.7 152.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.29 159.75 35.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.453 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.849 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -88.62 158.68 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -83.76 -27.14 29.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 107.993 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -31.91 59.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.849 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 28.4 m -42.7 162.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.409 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.35 163.49 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.633 HG21 ' CG ' ' A' ' 28' ' ' MET . 0.8 OUTLIER -103.34 12.39 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.892 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -79.66 -56.96 0.73 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.892 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.1 Cg_endo -75.0 53.4 3.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 71' ' ' ASP . 0.8 OUTLIER -140.36 -43.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.748 ' OD1' HG11 ' A' ' 24' ' ' VAL . 25.7 t70 -29.4 128.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.86 56.38 3.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.664 ' OE2' HD12 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -160.68 -165.77 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 0.792 . . . . 0.0 110.335 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 14.8 mt-10 -147.99 113.17 5.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.664 HD12 ' OE2' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -96.51 144.14 26.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.426 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 84.8 mt -117.39 109.52 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.894 HG11 HD21 ' A' ' 38' ' ' LEU . 48.1 t -91.7 112.69 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -115.97 161.08 19.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 p -108.18 124.33 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.432 ' HB ' HG12 ' A' ' 21' ' ' VAL . 6.7 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.672 HG23 HG22 ' A' ' 24' ' ' VAL . 22.6 t -139.61 150.54 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.547 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -96.41 129.07 43.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 19' ' ' ARG . 75.4 t -118.08 142.93 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -114.92 118.19 32.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.549 HD13 ' HD2' ' A' ' 41' ' ' ARG . 13.8 mt -89.41 157.44 47.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 54.13 3.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -155.42 24.25 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 mttp 64.48 11.94 6.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -107.32 166.21 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.57 154.43 42.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.2 t -137.72 141.18 41.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.432 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.4 t -93.51 123.78 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 23' ' ' THR . 40.8 t -110.03 168.44 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.516 ' N ' HG12 ' A' ' 22' ' ' VAL . 58.0 m -97.33 143.35 28.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.672 HG22 HG23 ' A' ' 10' ' ' VAL . 2.0 t -92.76 110.28 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 23.6 mtp180 -121.21 126.49 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.99 78.17 9.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.86 -60.08 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.608 ' CG ' HG21 ' A' ' 67' ' ' ILE . 15.9 ptm -62.65 174.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.744 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.7 p -107.53 -175.49 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.483 HG13 HD23 ' A' ' 34' ' ' LEU . 73.0 t -78.21 -32.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' ASP . 48.2 t80 -62.24 -58.8 6.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.84 -22.36 65.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.19 -62.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.817 HD12 HG21 ' A' ' 77' ' ' VAL . 4.0 mm? -67.78 -17.99 64.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.3 t0 -39.28 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.617 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -50.51 -50.5 52.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.52 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -43.2 -29.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.994 HD21 HG11 ' A' ' 77' ' ' VAL . 59.0 mt -90.27 -60.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 7.2 mmmm -39.96 -50.66 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 36' ' ' LYS . 5.2 p -39.4 -45.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.549 ' HD2' HD13 ' A' ' 14' ' ' LEU . 21.0 mtp85 -91.76 -30.87 16.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.02 10.27 22.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.554 HD22 ' SG ' ' A' ' 48' ' ' CYS . 23.2 mt -67.41 175.34 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.402 HD22 ' N ' ' A' ' 46' ' ' ASP . 4.2 t30 -135.45 163.58 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -98.11 38.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.402 ' N ' HD22 ' A' ' 44' ' ' ASN . 5.4 t0 -125.35 -52.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -106.86 42.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.336 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.554 ' SG ' HD22 ' A' ' 43' ' ' LEU . 90.3 m -141.13 163.43 32.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.606 HG23 HG13 ' A' ' 60' ' ' VAL . 3.2 p -149.31 152.86 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 77' ' ' VAL . 42.7 t -121.36 124.75 72.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.601 ' CE1' HG13 ' A' ' 49' ' ' VAL . 2.8 m-85 -103.68 138.46 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.608 ' HG2' HD23 ' A' ' 75' ' ' LEU . 46.7 mtm180 -116.31 138.95 50.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.4 96.28 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.887 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.7 mp -95.2 -64.55 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -121.08 35.25 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.75 11.8 78.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -122.12 138.73 54.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -62.11 98.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.887 ' HB ' HD13 ' A' ' 54' ' ' ILE . 1.5 m -94.1 104.23 16.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.606 HG13 HG23 ' A' ' 49' ' ' VAL . 94.8 t -54.18 142.28 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.561 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -117.99 161.37 19.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.442 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.659 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -87.32 162.34 17.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.521 ' CH2' HG23 ' A' ' 50' ' ' VAL . 92.2 m95 -91.54 -25.95 18.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.48 -28.93 37.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.659 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 16.8 m -45.76 171.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.517 ' N ' HG22 ' A' ' 65' ' ' THR . . . -100.33 164.58 11.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.608 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.2 tp -106.42 10.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.852 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.61 -55.2 1.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.852 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 58.13 4.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.804 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.4 mm? -142.46 21.49 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.66 113.95 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.67 94.07 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 2.2 pp20? -175.65 -164.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 0.781 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.547 ' OE2' ' CB ' ' A' ' 11' ' ' LYS . 8.6 mm-40 -151.29 134.37 15.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.608 HD23 ' HG2' ' A' ' 52' ' ' ARG . 1.7 mt -115.73 131.22 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 77.4 mt -113.97 112.04 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.994 HG11 HD21 ' A' ' 38' ' ' LEU . 95.7 t -89.78 131.73 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -142.89 171.83 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.4 t -97.05 131.84 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.472 HD21 ' HB ' ' A' ' 49' ' ' VAL . 46.8 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.463 ' HB ' HG12 ' A' ' 21' ' ' VAL . 1.2 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 71' ' ' ASP . 3.4 t -140.99 145.17 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -92.91 128.74 38.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' HB ' HG22 ' A' ' 20' ' ' THR . 25.5 t -115.24 114.37 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -87.44 115.49 24.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD21 ' O ' ' A' ' 37' ' ' ALA . 11.1 mt -89.75 158.27 45.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.47 3.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.416 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER 171.96 42.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mttt 46.18 25.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 16' ' ' ASN . 5.8 mt-30 -112.95 158.43 20.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -146.5 151.87 38.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.405 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.8 t -140.36 134.02 30.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.463 HG12 ' HB ' ' A' ' 9' ' ' THR . 3.6 t -88.5 134.61 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 23' ' ' THR . 44.7 t -126.78 166.82 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.503 ' N ' HG12 ' A' ' 22' ' ' VAL . 54.0 m -87.48 148.79 24.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.755 HG11 ' OD2' ' A' ' 71' ' ' ASP . 2.8 t -92.28 109.97 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 9.4 mtt85 -114.94 -169.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.421 ' HA ' ' HB2' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -132.3 -49.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.1 -73.31 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.653 ' CG ' HG21 ' A' ' 67' ' ' ILE . 11.7 ptm -42.3 165.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 34.1 m -110.89 -174.9 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.3 t -67.43 -45.6 85.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ASP . 7.0 t80 -59.0 -51.27 70.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.05 -30.23 70.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -54.84 6.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.646 HD12 HG21 ' A' ' 77' ' ' VAL . 4.2 mm? -83.27 10.88 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' TYR . 8.9 t0 -64.58 -53.79 42.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.547 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -70.97 -49.68 42.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.469 ' O ' HD21 ' A' ' 14' ' ' LEU . . . -39.96 -34.5 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.035 HD21 HG11 ' A' ' 77' ' ' VAL . 45.7 mt -89.91 -64.49 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.6 mttp -39.57 -55.09 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.5 p -39.44 -44.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 41' ' ' ARG . 8.1 mtp-105 -87.21 -30.4 21.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 106.04 11.34 28.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.871 HD22 ' SG ' ' A' ' 48' ' ' CYS . 24.3 mt -66.0 -177.9 0.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.42 HD22 ' N ' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -136.85 152.33 50.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.42 ' N ' HD22 ' A' ' 44' ' ' ASN . 15.4 mp0 -87.97 42.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -143.97 -49.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.6 m -95.15 27.45 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.871 ' SG ' HD22 ' A' ' 43' ' ' LEU . 90.7 m -140.4 166.72 23.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.298 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.616 HG13 ' CE1' ' A' ' 51' ' ' TYR . 5.7 p -149.94 157.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.634 HG22 HG22 ' A' ' 77' ' ' VAL . 21.2 t -125.15 132.63 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.616 ' CE1' HG13 ' A' ' 49' ' ' VAL . 2.7 m-85 -112.55 136.37 52.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 9.7 mtm180 -104.14 137.93 41.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -91.72 92.02 8.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.583 HD13 HG21 ' A' ' 59' ' ' THR . 2.5 mp -99.22 -70.21 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.96 50.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.37 23.61 62.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -131.28 130.21 42.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.36 104.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.583 HG21 HD13 ' A' ' 54' ' ' ILE . 2.0 m -98.21 97.99 9.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -49.01 125.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.478 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -106.92 142.73 36.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.934 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -75.47 158.16 33.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.503 ' CH2' ' CG2' ' A' ' 50' ' ' VAL . 86.2 m95 -81.29 -52.07 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -50.73 -30.92 15.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.934 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 15.5 m -47.67 158.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 29' ' ' SER . . . -95.47 165.88 12.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.653 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.6 tp -100.73 -0.41 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.84 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -68.29 -54.76 14.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.84 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.96 55.59 3.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.593 HD13 ' HG3' ' A' ' 73' ' ' GLU . 0.1 OUTLIER 176.46 125.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.755 ' OD2' HG11 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -154.4 -60.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' N ' ' OE2' ' A' ' 73' ' ' GLU . . . -80.44 67.16 3.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.593 ' HG3' HD13 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -160.31 -173.83 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -140.8 117.63 11.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.285 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.491 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 1.9 mt -90.25 137.92 31.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 79.4 mt -115.93 113.05 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.035 HG11 HD21 ' A' ' 38' ' ' LEU . 95.6 t -91.9 131.74 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -140.3 168.21 20.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.2 t -101.78 130.24 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 46' ' ' ASP . 57.4 mt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.635 ' HB ' HG12 ' A' ' 21' ' ' VAL . 7.3 p . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 15.0 t -139.22 149.47 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -88.81 127.35 35.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -114.14 108.4 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -83.04 116.19 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.783 HD21 ' O ' ' A' ' 37' ' ' ALA . 12.1 mt -89.84 158.16 45.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 71.96 4.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.0 38.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt 50.34 22.89 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -111.93 160.87 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.6 150.66 34.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -141.22 132.7 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.635 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.6 t -85.1 124.89 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.87 160.12 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.4 m -83.18 145.0 29.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.599 HG11 ' HB2' ' A' ' 71' ' ' ASP . 2.9 t -82.81 109.54 16.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.508 ' CB ' ' SD ' ' A' ' 28' ' ' MET . 5.2 mmt180 -105.58 159.57 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -136.05 43.46 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.42 41.94 0.24 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.508 ' SD ' ' CB ' ' A' ' 25' ' ' ARG . 14.8 ptm -164.74 159.02 18.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -79.66 177.23 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.479 HG13 HD23 ' A' ' 34' ' ' LEU . 34.9 t -79.07 -32.49 15.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASP . 9.4 t80 -60.68 -53.81 52.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -63.1 -24.42 67.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.464 ' CB ' HD13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -78.27 -61.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.807 HD12 HG21 ' A' ' 77' ' ' VAL . 4.1 mm? -72.37 -5.9 39.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.1 t70 -45.68 -63.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -54.86 -54.37 43.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.783 ' O ' HD21 ' A' ' 14' ' ' LEU . . . -39.84 -31.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.945 HD21 HG11 ' A' ' 77' ' ' VAL . 37.0 mt -90.76 -52.5 4.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -41.36 -49.59 3.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.5 p -50.34 -45.22 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HB2' HD12 ' A' ' 43' ' ' LEU . 20.2 mtp85 -95.45 17.14 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.27 27.09 3.69 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 41' ' ' ARG . 28.1 mt -76.79 -177.84 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 0.74 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -134.78 164.18 28.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.465 ' HG3' HD12 ' A' ' 38' ' ' LEU . 14.1 mp0 -100.21 35.52 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -125.69 -49.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.28 35.03 2.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 108.333 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 78' ' ' GLU . 78.9 m -140.98 147.74 39.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.556 HG13 ' CE1' ' A' ' 51' ' ' TYR . 2.4 p -134.68 147.1 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.69 ' HB ' HG22 ' A' ' 61' ' ' THR . 38.4 t -113.96 126.98 71.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.556 ' CE1' HG13 ' A' ' 49' ' ' VAL . 3.0 m-85 -102.95 138.82 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.493 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 12.0 mtm-85 -98.89 136.41 38.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 76' ' ' ILE . 1.3 mm? -80.95 102.83 10.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.493 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -125.29 94.78 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 62.83 35.84 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.81 47.04 42.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -144.79 111.17 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 103.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.431 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -103.63 101.78 11.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.44 HG13 HG23 ' A' ' 49' ' ' VAL . 59.5 t -39.16 147.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.69 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -127.79 164.49 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.411 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.869 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -95.06 157.83 15.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.626 ' CH2' HG23 ' A' ' 50' ' ' VAL . 91.3 m95 -85.92 -41.05 15.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 108.048 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -65.0 -28.92 69.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.869 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 43.7 m -46.71 168.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.397 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.454 ' N ' HG22 ' A' ' 65' ' ' THR . . . -96.19 169.49 9.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.72 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.1 tp -109.23 18.66 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.881 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -80.29 -56.23 0.72 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.881 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.03 56.03 4.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.431 1.753 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.731 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.8 mm? -133.13 -42.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.599 ' HB2' HG11 ' A' ' 24' ' ' VAL . 15.2 t0 -32.03 115.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.52 56.13 2.32 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -162.82 -169.88 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 7.1 mt-10 -146.49 122.46 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.627 HD22 HG12 ' A' ' 50' ' ' VAL . 57.1 mt -102.61 130.86 49.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 84.1 mt -110.33 113.13 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.945 HG11 HD21 ' A' ' 38' ' ' LEU . 61.2 t -88.92 128.65 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -137.54 167.29 21.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.433 HG22 HD22 ' A' ' 43' ' ' LEU . 70.1 t -102.91 130.66 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 22' ' ' VAL . 14.4 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.496 HG23 HG22 ' A' ' 24' ' ' VAL . 22.1 t -141.34 149.96 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.91 131.82 36.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.51 HG11 HD11 ' A' ' 34' ' ' LEU . 84.8 t -119.14 139.75 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -110.91 114.87 28.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.409 HD21 ' O ' ' A' ' 37' ' ' ALA . 17.1 mt -87.33 156.84 53.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.54 3.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.444 1.76 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.45 ' CG ' ' NH2' ' A' ' 41' ' ' ARG . 1.4 t-20 -156.6 25.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.9 mttt 62.48 13.43 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.34 165.9 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 4.1 ptt85 -145.05 156.9 44.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.6 t -139.45 144.61 38.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.3 t -93.13 122.19 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 23' ' ' THR . 54.6 t -109.91 165.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.484 ' N ' HG12 ' A' ' 22' ' ' VAL . 46.3 m -97.49 140.48 31.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 10' ' ' VAL . 1.6 t -86.72 109.63 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 4.4 mtp-105 -115.19 149.58 37.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -106.08 74.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.64 -57.83 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.545 ' CG ' HG21 ' A' ' 67' ' ' ILE . 14.2 ptm -58.1 166.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 7.7 m -102.51 -169.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -80.17 -35.92 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.602 ' CE2' ' CD ' ' A' ' 45' ' ' GLN . 8.0 t80 -67.46 -53.05 32.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.11 -14.56 38.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.492 ' OG ' ' CE ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -91.87 -60.85 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.757 HD12 HG21 ' A' ' 77' ' ' VAL . 4.1 mm? -72.22 -5.35 35.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 5.3 t70 -46.31 -63.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.41 ' O ' HG12 ' A' ' 40' ' ' VAL . 14.7 mmmt -59.4 -53.78 54.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.644 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -41.13 -32.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.857 HD21 HG11 ' A' ' 77' ' ' VAL . 21.5 mt -92.03 -54.24 3.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -48.06 -34.82 10.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.652 HG13 ' HG3' ' A' ' 41' ' ' ARG . 14.7 p -59.66 -32.74 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.652 ' HG3' HG13 ' A' ' 40' ' ' VAL . 2.9 mtt-85 -109.94 2.62 19.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 65.73 22.98 70.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.432 HD22 ' SG ' ' A' ' 48' ' ' CYS . 31.6 mt -70.71 162.69 28.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -102.7 160.51 14.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 31' ' ' TYR . 2.1 mp0 -97.01 22.46 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 80' ' ' LEU . 39.9 t0 -129.56 -43.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.0 m -91.28 20.08 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 108.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.445 ' SG ' HG22 ' A' ' 79' ' ' VAL . 71.9 m -137.5 147.52 45.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.453 HG22 ' CE1' ' A' ' 51' ' ' TYR . 1.5 p -132.9 159.41 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.731 ' HB ' HG22 ' A' ' 61' ' ' THR . 40.9 t -126.09 122.63 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.5 m-85 -101.09 139.7 36.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 17.6 mtp180 -102.97 133.78 47.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.24 103.19 7.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.9 mp -126.41 93.49 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.61 23.96 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.32 36.46 23.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.539 1.149 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -135.22 112.76 10.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.253 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 105.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 24.2 m -105.75 99.67 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.433 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -39.58 153.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.731 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.0 OUTLIER -135.91 151.02 49.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.656 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -79.77 162.11 25.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.462 ' CH2' HG23 ' A' ' 50' ' ' VAL . 95.9 m95 -89.48 -37.45 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 108.029 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.58 -32.48 72.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.656 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 17.1 m -46.05 171.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 65' ' ' THR . . . -100.39 163.54 12.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.621 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -104.21 10.08 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.853 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -69.85 -55.26 8.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.858 ' C ' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 54.78 3.75 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.574 1.829 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.858 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.4 mm? -144.12 24.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.52 123.11 22.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.67 76.77 0.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' OE2' HG11 ' A' ' 10' ' ' VAL . 2.8 pp20? -165.34 -167.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 4.4 mt-10 -150.01 117.02 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.363 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.484 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 4.4 mt -95.82 137.84 34.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 65.0 mt -113.9 114.36 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.857 HG11 HD21 ' A' ' 38' ' ' LEU . 58.8 t -92.42 125.01 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.515 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -133.03 169.75 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.445 HG22 ' SG ' ' A' ' 48' ' ' CYS . 43.6 t -104.79 133.72 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 46' ' ' ASP . 26.5 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.671 ' HB ' HG12 ' A' ' 21' ' ' VAL . 9.7 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.775 HG23 HG22 ' A' ' 24' ' ' VAL . 54.1 t -136.24 146.07 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -92.07 130.63 37.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.713 HG11 HD11 ' A' ' 34' ' ' LEU . 65.2 t -120.45 120.89 64.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -87.54 117.01 26.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.9 mt -89.14 159.56 44.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.54 4.29 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.407 ' C ' ' N ' ' A' ' 18' ' ' GLN . 1.9 t-20 173.85 40.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt 47.77 24.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' N ' ' C ' ' A' ' 16' ' ' ASN . 9.7 mt-30 -111.87 162.53 15.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.68 153.68 41.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.423 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.4 t -141.39 136.91 31.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.671 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.8 t -92.76 126.1 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 23' ' ' THR . 43.8 t -115.16 162.26 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.42 ' N ' HG12 ' A' ' 22' ' ' VAL . 81.2 m -89.37 133.38 34.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.775 HG22 HG23 ' A' ' 10' ' ' VAL . 1.8 t -83.18 109.8 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.92 174.38 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -134.16 49.16 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.35 44.25 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.511 ' CG ' HG21 ' A' ' 67' ' ' ILE . 15.5 ptm -169.09 163.12 11.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.0 p -92.98 -177.79 4.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.673 HG13 HD23 ' A' ' 34' ' ' LEU . 73.1 t -78.15 -28.85 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ASP . 32.2 t80 -62.85 -56.79 14.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -62.57 -27.0 68.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.53 -62.49 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.035 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.713 HD11 HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -68.21 -13.73 62.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.1 t70 -41.36 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.436 ' O ' HG12 ' A' ' 40' ' ' VAL . 1.4 ptmt -50.85 -44.47 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -47.02 -29.97 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.912 HD21 HG11 ' A' ' 77' ' ' VAL . 40.7 mt -91.58 -57.27 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 7.5 mmmm -44.59 -52.01 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 36' ' ' LYS . 14.1 p -38.08 -47.37 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.432 ' N ' HG13 ' A' ' 40' ' ' VAL . 26.0 mtp85 -87.9 -32.32 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.0 10.88 20.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.64 HD22 ' SG ' ' A' ' 48' ' ' CYS . 26.1 mt -67.85 178.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -131.77 159.72 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 35' ' ' ASP . 3.1 mp0 -94.42 41.69 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.656 ' O ' HD12 ' A' ' 80' ' ' LEU . 1.7 t70 -140.24 -47.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.429 ' O ' HG13 ' A' ' 79' ' ' VAL . 57.8 m -101.83 32.85 3.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.64 ' SG ' HD22 ' A' ' 43' ' ' LEU . 93.0 m -141.35 151.4 43.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 108.316 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.523 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.4 p -137.73 148.84 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.535 HG22 HG22 ' A' ' 77' ' ' VAL . 24.6 t -117.39 125.05 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.523 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.4 m-85 -104.22 140.28 38.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.524 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 6.9 mtm105 -105.51 134.44 48.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.464 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -81.66 103.73 11.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.553 HD13 HG21 ' A' ' 59' ' ' THR . 1.7 mp -123.53 107.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.54 -55.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.35 40.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.02 153.28 37.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.76 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -78.32 113.03 15.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.553 HG21 HD13 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -106.42 102.47 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.5 t -47.41 137.8 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.508 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.3 t -113.11 163.46 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.813 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -101.46 136.96 40.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.516 ' CH2' HG23 ' A' ' 50' ' ' VAL . 89.7 m95 -63.98 -26.41 68.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 108.015 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -72.76 -39.07 67.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.813 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 17.9 m -39.52 159.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 110.44 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.47 176.51 7.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.511 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.8 tp -117.36 2.87 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.868 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -76.95 -55.48 1.43 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.868 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.99 54.96 3.79 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.843 HD22 ' O ' ' A' ' 69' ' ' PRO . 2.1 mm? -148.72 26.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.85 128.3 35.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.2 71.87 0.86 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 3.0 pp20? -163.17 -173.55 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 2.8 mt-10 -149.36 130.73 14.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 4.7 mt -112.32 152.31 28.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.0 mt -119.0 113.65 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.912 HG11 HD21 ' A' ' 38' ' ' LEU . 60.2 t -94.37 123.46 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.424 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -134.14 172.32 13.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.501 HG22 HD22 ' A' ' 43' ' ' LEU . 91.0 t -99.17 132.43 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 46' ' ' ASP . 23.3 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.1 t -143.99 146.31 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HB2' ' OE2' ' A' ' 74' ' ' GLU . 17.8 mttt -89.49 128.8 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.63 HG11 HD11 ' A' ' 34' ' ' LEU . 77.5 t -117.25 112.36 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -81.4 115.28 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.488 HD13 ' HD2' ' A' ' 41' ' ' ARG . 10.0 mt -85.35 163.78 43.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.38 17.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -91.68 39.28 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? 44.26 27.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 16' ' ' ASN . 1.4 mt-30 -122.19 174.67 6.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.99 152.45 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.421 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.3 t -141.35 128.39 20.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -87.68 119.69 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.6 157.61 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.5 m -85.35 150.99 24.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.91 109.89 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.9 OUTLIER -117.39 93.0 4.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -54.65 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.255 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 164.5 -66.68 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.447 ' CG ' HG21 ' A' ' 67' ' ' ILE . 22.0 ptm -56.53 163.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -90.49 176.4 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.538 HG13 HD23 ' A' ' 34' ' ' LEU . 74.5 t -77.65 -29.1 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' ASP . 17.4 t80 -63.22 -57.89 8.98 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -60.87 -26.16 67.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.06 -62.57 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.718 HD12 HG21 ' A' ' 77' ' ' VAL . 3.2 mm? -65.72 -20.39 66.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.4 t0 -44.07 -57.05 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.423 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -61.02 -55.24 35.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.542 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -43.24 -27.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.975 HD21 HG11 ' A' ' 77' ' ' VAL . 25.7 mt -90.55 -58.61 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -43.34 -48.51 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.246 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.542 HG12 ' C ' ' A' ' 37' ' ' ALA . 7.3 p -39.54 -38.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.488 ' HD2' HD13 ' A' ' 14' ' ' LEU . 1.2 mtt85 -101.17 -28.01 12.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.48 9.48 29.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.737 HD22 ' SG ' ' A' ' 48' ' ' CYS . 18.5 mt -61.76 162.83 8.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.81 142.44 45.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.542 ' OE1' ' CZ3' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -86.17 45.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.08 -48.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.4 m -91.94 15.76 12.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 108.249 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.737 ' SG ' HD22 ' A' ' 43' ' ' LEU . 48.7 m -125.15 161.32 27.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 108.311 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.572 HG13 ' CE1' ' A' ' 51' ' ' TYR . 4.1 p -142.85 156.14 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.846 HG22 HG22 ' A' ' 77' ' ' VAL . 42.3 t -125.14 128.19 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 2.6 m-85 -107.28 142.15 37.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.656 ' HG2' HD23 ' A' ' 75' ' ' LEU . 37.1 mtm180 -119.03 140.51 49.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.66 98.97 9.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.833 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.4 mp -100.9 -63.48 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -123.8 49.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.77 20.3 68.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.84 137.49 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -60.55 98.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.833 ' HB ' HD13 ' A' ' 54' ' ' ILE . 4.0 m -95.4 99.38 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.433 HG13 HG23 ' A' ' 49' ' ' VAL . 77.3 t -48.37 153.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.492 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -126.54 156.91 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.712 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -84.61 152.09 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.542 ' CZ3' ' OE1' ' A' ' 45' ' ' GLN . 62.2 m95 -78.48 -26.47 46.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -92.35 35.13 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.712 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 88.2 m -104.67 165.12 11.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.69 161.14 15.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.447 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -110.47 18.1 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.076 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.88 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -79.74 -56.52 0.76 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.88 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 50.4 2.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.994 HD12 HD11 ' A' ' 75' ' ' LEU . 1.4 mm? -121.87 -41.0 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 70' ' ' LEU . 18.3 t0 -37.3 100.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 103.02 59.71 0.73 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.745 ' CD ' HD13 ' A' ' 70' ' ' LEU . 4.8 pt-20 -170.76 -177.01 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' OE2' ' HB2' ' A' ' 11' ' ' LYS . 6.3 mm-40 -140.88 131.66 25.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.994 HD11 HD12 ' A' ' 70' ' ' LEU . 1.3 mt -110.41 137.15 48.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 81.2 mt -115.61 109.4 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.975 HG11 HD21 ' A' ' 38' ' ' LEU . 94.1 t -91.78 115.08 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 18.5 mt-10 -134.14 145.85 49.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.91 136.11 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.7 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.652 ' HB ' HG12 ' A' ' 21' ' ' VAL . 3.8 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.8 t -138.17 147.94 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -90.79 130.26 36.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.966 HG11 HD11 ' A' ' 34' ' ' LEU . 64.9 t -119.18 112.83 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -81.99 118.77 23.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.773 HD13 ' HD2' ' A' ' 41' ' ' ARG . 11.2 mt -89.62 160.6 41.3 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 73.17 4.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER 173.98 41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt 48.3 24.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 16' ' ' ASN . 3.4 mt-30 -110.5 164.33 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.85 151.56 34.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.0 t -141.3 134.72 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.652 HG12 ' HB ' ' A' ' 9' ' ' THR . 2.8 t -87.75 131.09 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.5 t -121.35 155.91 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -83.46 147.79 27.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 71' ' ' ASP . 1.4 t -95.68 109.89 23.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -115.12 103.38 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.43 78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 175.98 -62.33 0.1 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.547 ' CG ' HG21 ' A' ' 67' ' ' ILE . 20.4 ptm -58.23 168.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.4 p -96.68 -174.21 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.6 t -80.61 -42.7 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.552 ' CE1' ' NE2' ' A' ' 45' ' ' GLN . 39.3 t80 -55.54 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.52 -24.37 31.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -52.88 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.966 HD11 HG11 ' A' ' 12' ' ' VAL . 4.3 mm? -86.86 17.18 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.7 t70 -73.28 -50.97 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -76.49 -49.8 15.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.544 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -39.45 -31.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.03 HD21 HG11 ' A' ' 77' ' ' VAL . 39.8 mt -88.84 -58.9 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 41' ' ' ARG . 11.4 mttt -44.05 -49.33 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.566 HG13 ' HG3' ' A' ' 41' ' ' ARG . 10.2 p -40.0 -30.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.773 ' HD2' HD13 ' A' ' 14' ' ' LEU . 3.0 mtt-85 -106.19 -31.33 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.74 3.3 18.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.794 HD22 ' SG ' ' A' ' 48' ' ' CYS . 23.3 mt -68.17 168.13 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -138.58 157.22 46.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.552 ' NE2' ' CE1' ' A' ' 31' ' ' TYR . 10.8 mp0 -86.66 44.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -125.52 -50.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 t -112.77 38.38 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.794 ' SG ' HD22 ' A' ' 43' ' ' LEU . 50.1 m -141.0 148.24 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.566 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 5.5 p -133.65 154.63 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.805 HG22 HG22 ' A' ' 77' ' ' VAL . 47.9 t -122.22 121.8 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.566 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.8 m-85 -100.11 139.74 35.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.702 ' HG2' HD23 ' A' ' 75' ' ' LEU . 27.5 mtm180 -114.34 138.73 50.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.25 93.81 9.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.578 HD13 HG21 ' A' ' 59' ' ' THR . 1.6 mp -95.48 -63.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.29 45.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.03 22.65 74.26 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.57 142.4 48.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -65.75 107.21 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.578 HG21 HD13 ' A' ' 54' ' ' ILE . 8.1 m -103.56 107.78 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.0 t -53.11 144.21 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.453 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -123.15 162.35 22.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.788 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -92.22 162.41 14.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.542 ' CH2' HG23 ' A' ' 50' ' ' VAL . 86.6 m95 -90.49 -19.21 24.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -96.33 25.26 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.788 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 5.5 m -98.44 163.43 12.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.36 155.06 19.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.767 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -101.13 16.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.874 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -78.04 -55.94 1.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.874 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.04 54.5 3.68 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.767 HD23 ' HA ' ' A' ' 67' ' ' ILE . 3.8 mm? -132.67 -42.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.537 ' HB2' HG11 ' A' ' 24' ' ' VAL . 52.7 t0 -34.49 105.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.08 54.54 1.18 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.5 ' OE2' HD12 ' A' ' 75' ' ' LEU . 1.3 pp20? -161.03 -169.01 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 7.2 mt-10 -147.73 123.71 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.254 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.702 HD23 ' HG2' ' A' ' 52' ' ' ARG . 1.2 mt -106.22 139.33 40.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 79.8 mt -116.9 110.91 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.03 HG11 HD21 ' A' ' 38' ' ' LEU . 86.3 t -91.71 126.89 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 48' ' ' CYS . 0.2 OUTLIER -139.06 172.0 13.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.508 HG22 ' SG ' ' A' ' 48' ' ' CYS . 62.3 t -98.76 134.46 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.401 ' HB ' HG12 ' A' ' 21' ' ' VAL . 16.1 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.1 t -140.25 144.2 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -92.05 129.51 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.428 HG11 ' CD1' ' A' ' 34' ' ' LEU . 17.5 t -114.57 112.73 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -83.51 116.09 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.8 HD13 ' HD2' ' A' ' 41' ' ' ARG . 6.7 mt -80.95 163.15 56.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 18.2 Cg_endo -75.02 92.89 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.777 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER 158.31 -56.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 16' ' ' ASN . 0.3 OUTLIER 165.19 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -61.66 161.52 9.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -148.88 151.12 34.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 t -130.85 133.01 45.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.401 HG12 ' HB ' ' A' ' 9' ' ' THR . 0.6 OUTLIER -91.5 119.56 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.5 t -106.25 155.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.4 m -88.93 147.63 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.748 HG11 ' HB2' ' A' ' 71' ' ' ASP . 2.4 t -88.77 110.06 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -117.4 143.03 46.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.25 77.02 2.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.77 -57.38 0.17 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.608 ' CG ' HG21 ' A' ' 67' ' ' ILE . 16.4 ptm -58.06 162.42 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 13.4 p -106.08 175.53 5.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.487 HG13 HD23 ' A' ' 34' ' ' LEU . 77.2 t -64.8 -35.34 74.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' ASP . 78.9 t80 -64.04 -57.56 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.29 -20.36 62.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -62.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.76 HD12 HG21 ' A' ' 77' ' ' VAL . 3.5 mm? -66.76 -17.12 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.4 t70 -39.89 -71.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.721 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -53.47 -49.63 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.539 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -41.49 -32.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.965 HD21 HG11 ' A' ' 77' ' ' VAL . 10.2 mt -91.38 -60.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.5 mptt -40.64 -49.44 3.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 36' ' ' LYS . 5.1 p -38.08 -41.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.8 ' HD2' HD13 ' A' ' 14' ' ' LEU . 5.2 mtt-85 -101.56 -24.44 14.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 109.34 5.35 30.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.578 HD22 ' SG ' ' A' ' 48' ' ' CYS . 24.0 mt -64.9 152.75 42.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -109.37 159.4 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.607 ' OE1' ' CZ3' ' A' ' 63' ' ' TRP . 2.3 mm100 -96.95 41.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.14 -51.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.9 34.76 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.578 ' SG ' HD22 ' A' ' 43' ' ' LEU . 22.3 m -141.01 155.27 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.57 HG13 ' CE1' ' A' ' 51' ' ' TYR . 2.5 p -137.32 148.86 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.477 HG22 HG22 ' A' ' 77' ' ' VAL . 25.8 t -116.61 124.76 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE1' HG13 ' A' ' 49' ' ' VAL . 3.0 m-85 -103.43 141.21 36.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.663 ' HG2' HD23 ' A' ' 75' ' ' LEU . 44.2 mtm180 -116.77 146.33 42.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.42 98.03 11.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.869 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.8 mp -99.21 -70.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.457 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -118.48 52.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.55 36.49 93.27 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.59 139.28 21.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 0.8 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 108.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.869 ' HB ' HD13 ' A' ' 54' ' ' ILE . 2.2 m -105.92 103.07 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.557 HG13 HG23 ' A' ' 49' ' ' VAL . 75.5 t -52.07 148.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.87 164.18 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.367 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.717 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -88.45 161.7 16.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.607 ' CZ3' ' OE1' ' A' ' 45' ' ' GLN . 94.3 m95 -90.58 -38.41 13.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.013 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -67.94 -30.06 69.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.717 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 16.8 m -46.95 171.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.505 ' N ' HG22 ' A' ' 65' ' ' THR . . . -99.39 171.95 7.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.616 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.1 tp -109.92 17.05 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.878 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.2 -55.72 1.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.878 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 56.96 4.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.76 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.5 mm? -139.4 -43.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.748 ' HB2' HG11 ' A' ' 24' ' ' VAL . 65.1 t0 -28.96 114.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.96 60.15 1.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -165.5 -164.08 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' N ' ' OE2' ' A' ' 73' ' ' GLU . 6.0 mt-10 -146.72 134.53 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.663 HD23 ' HG2' ' A' ' 52' ' ' ARG . 2.4 mt -115.28 133.07 56.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 82.0 mt -113.26 110.43 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.965 HG11 HD21 ' A' ' 38' ' ' LEU . 58.5 t -88.59 132.88 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.536 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -141.13 168.02 20.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.553 HG22 ' SG ' ' A' ' 48' ' ' CYS . 84.8 t -101.88 131.56 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 80' ' ' LEU . 16.6 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.547 ' HB ' HG12 ' A' ' 21' ' ' VAL . 12.2 p . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 t -139.11 149.18 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.74 129.73 39.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.421 ' HB ' HG22 ' A' ' 20' ' ' THR . 30.3 t -118.69 111.19 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -80.11 118.25 21.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.565 HD13 ' HD2' ' A' ' 41' ' ' ARG . 9.4 mt -91.17 160.75 36.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 77.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 1.2 p30 168.06 42.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 46.39 25.52 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -111.99 163.85 13.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.22 152.78 37.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.421 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.7 t -138.76 133.29 31.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.547 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.6 t -89.32 124.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -114.73 158.25 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.4 m -86.07 148.52 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.364 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.808 HG11 ' HB2' ' A' ' 71' ' ' ASP . 2.5 t -89.3 110.21 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -108.9 -152.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.52 -46.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.06 56.39 2.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.66 ' CG ' HG21 ' A' ' 67' ' ' ILE . 13.1 ptm -178.13 162.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 94.5 p -105.11 -167.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.497 HG13 HD23 ' A' ' 34' ' ' LEU . 98.1 t -76.95 -38.43 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' ASP . 41.2 t80 -58.39 -59.26 5.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.32 -21.38 61.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.06 -62.66 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.652 HD12 HG21 ' A' ' 77' ' ' VAL . 3.5 mm? -67.67 -15.44 63.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.7 t70 -42.01 -55.92 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.549 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -63.36 -56.45 16.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.466 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -39.7 -30.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.933 HD21 HG11 ' A' ' 77' ' ' VAL . 36.0 mt -89.88 -66.47 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' LEU . 15.3 mttt -39.77 -52.76 2.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 36' ' ' LYS . 11.0 p -39.96 -45.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HD2' HD13 ' A' ' 14' ' ' LEU . 5.2 mtp-105 -87.16 -32.43 19.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.52 9.72 20.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.515 HD22 ' SG ' ' A' ' 48' ' ' CYS . 34.7 mt -69.08 -179.55 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -144.19 156.56 44.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -88.5 40.21 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -125.21 -44.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.522 ' O ' HG13 ' A' ' 79' ' ' VAL . 8.5 t -116.61 37.05 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.269 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.515 ' SG ' HD22 ' A' ' 43' ' ' LEU . 91.2 m -139.66 158.73 43.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.258 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.565 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.3 p -148.34 152.9 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.982 HG22 HG22 ' A' ' 77' ' ' VAL . 48.6 t -121.7 123.29 69.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE1' HG13 ' A' ' 49' ' ' VAL . 3.2 m-85 -101.9 140.28 36.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.757 ' HD2' HD21 ' A' ' 75' ' ' LEU . 8.2 mtm-85 -103.63 130.51 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -80.49 101.48 9.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.506 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.7 mp -118.51 96.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 54' ' ' ILE . 0.0 OUTLIER 84.13 -51.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.04 40.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -146.49 142.48 28.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.56 108.6 5.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.476 HG21 HD13 ' A' ' 54' ' ' ILE . 1.2 m -102.3 97.61 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.9 t -43.54 134.34 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.636 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.3 t -110.62 154.76 23.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.808 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -91.96 143.01 26.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.424 ' CH2' HG23 ' A' ' 50' ' ' VAL . 89.0 m95 -69.35 -19.4 63.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -80.0 -39.88 29.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.808 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 4.1 m -38.8 156.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 29' ' ' SER . . . -86.48 163.13 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.67 ' HA ' HD23 ' A' ' 70' ' ' LEU . 8.2 tp -95.74 -6.12 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.808 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -66.26 -52.83 35.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.808 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.96 58.55 4.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.713 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.4 mm? -139.78 -44.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.808 ' HB2' HG11 ' A' ' 24' ' ' VAL . 26.8 t70 -32.07 116.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.13 51.65 3.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -156.98 -166.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 11.0 mt-10 -150.1 114.83 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.757 HD21 ' HD2' ' A' ' 52' ' ' ARG . 20.7 mt -99.06 136.62 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 83.8 mt -114.86 109.38 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.982 HG22 HG22 ' A' ' 50' ' ' VAL . 95.4 t -91.69 111.6 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 25.5 mt-10 -127.54 149.85 49.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 47' ' ' CYS . 99.5 t -77.6 139.82 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.556 ' HB ' HG12 ' A' ' 21' ' ' VAL . 12.0 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.615 HG23 HG22 ' A' ' 24' ' ' VAL . 39.7 t -141.57 151.89 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -91.4 125.18 36.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.646 HG11 HD11 ' A' ' 34' ' ' LEU . 65.1 t -113.14 106.76 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -77.88 115.89 17.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.453 HD13 ' HE ' ' A' ' 41' ' ' ARG . 9.0 mt -86.11 164.57 38.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -5.36 16.69 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.505 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -92.05 34.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 11.1 pttt 49.03 23.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.13 178.0 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.51 151.24 41.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.5 t -138.24 129.74 27.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.556 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.8 t -83.8 126.61 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 23' ' ' THR . 57.3 t -116.93 162.33 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.439 ' N ' HG12 ' A' ' 22' ' ' VAL . 33.1 m -89.05 141.47 28.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.615 HG22 HG23 ' A' ' 10' ' ' VAL . 2.2 t -90.48 109.91 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -119.13 98.98 6.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.86 82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 170.61 -73.64 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.746 ' O ' HG22 ' A' ' 67' ' ' ILE . 17.7 ptm -46.29 153.21 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -80.01 175.58 10.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.1 t -74.84 -41.85 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ASP . 18.6 t80 -53.79 -55.64 24.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.67 -27.6 66.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -54.73 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.646 HD11 HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -83.59 11.83 6.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -69.85 -54.15 14.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.589 ' O ' HG12 ' A' ' 40' ' ' VAL . 15.7 mmmt -71.17 -48.12 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.545 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -42.37 -33.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.045 HD21 HG11 ' A' ' 77' ' ' VAL . 53.1 mt -90.0 -59.53 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -43.11 -48.23 6.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.7 p -40.54 -33.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.581 ' HG3' HG13 ' A' ' 40' ' ' VAL . 12.3 mtt-85 -103.98 -32.58 9.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.75 8.04 16.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.007 HD22 ' SG ' ' A' ' 48' ' ' CYS . 24.2 mt -66.38 148.53 51.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.92 155.27 18.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -89.25 39.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -140.78 -46.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 80' ' ' LEU . 5.4 m -93.18 22.35 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 1.007 ' SG ' HD22 ' A' ' 43' ' ' LEU . 57.9 m -141.13 144.39 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.55 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 3.6 p -127.33 157.63 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.668 ' HB ' HG22 ' A' ' 61' ' ' THR . 47.3 t -124.04 118.49 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.55 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.5 m-85 -98.88 139.85 33.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HG2' HD23 ' A' ' 75' ' ' LEU . 28.4 mtm-85 -98.5 136.69 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.29 102.43 12.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.4 mp -124.88 91.38 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.12 44.7 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.38 51.11 60.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -148.98 107.32 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -57.27 109.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.456 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.6 m -109.3 100.12 9.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.2 t -41.33 135.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.668 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -114.0 162.26 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.438 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.785 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -94.07 159.64 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.625 ' CH2' HG23 ' A' ' 50' ' ' VAL . 59.8 m95 -85.6 -34.76 21.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 107.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -90.89 48.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.785 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 88.6 m -119.09 163.62 16.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.93 143.59 26.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.746 HG22 ' O ' ' A' ' 28' ' ' MET . 0.6 OUTLIER -92.19 18.92 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.891 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -73.42 -57.76 2.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.891 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 51.03 2.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.831 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.7 mm? -130.02 -40.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' A' ' 70' ' ' LEU . 19.2 t0 -32.89 113.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.8 63.16 1.7 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.497 ' OE2' HD12 ' A' ' 75' ' ' LEU . 1.1 pp20? -166.74 -169.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.1 mt-10 -150.56 127.2 10.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.709 HD11 HD12 ' A' ' 70' ' ' LEU . 1.2 mt -109.14 148.62 30.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 95.2 mt -116.37 113.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.045 HG11 HD21 ' A' ' 38' ' ' LEU . 86.4 t -93.58 103.84 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -104.9 160.15 15.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 p -110.64 120.85 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' CYS . 70.5 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.659 ' HB ' HG12 ' A' ' 21' ' ' VAL . 6.9 p . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 24' ' ' VAL . 85.3 t -134.3 145.2 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 23.0 mttt -93.23 132.4 37.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.636 HG11 HD11 ' A' ' 34' ' ' LEU . 66.5 t -120.17 133.36 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -99.04 115.43 28.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.67 163.85 63.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.175 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 87.12 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 165.0 -57.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER 165.65 -29.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -63.66 163.45 11.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.55 157.31 44.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.8 t -135.56 143.43 45.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.659 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.8 t -97.1 126.38 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.61 158.26 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.3 m -89.81 135.4 33.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.363 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.817 HG22 HG23 ' A' ' 10' ' ' VAL . 2.0 t -82.7 109.82 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 16.1 mtp85 -115.01 169.25 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -123.76 81.94 1.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.35 -60.56 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.093 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.606 ' CG ' HG21 ' A' ' 67' ' ' ILE . 17.9 ptm -55.93 162.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.0 p -98.24 177.71 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.502 HG13 HD23 ' A' ' 34' ' ' LEU . 69.3 t -70.36 -33.97 56.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' ASP . 13.3 t80 -61.72 -57.59 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.1 -19.64 61.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.531 ' CB ' HD13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -84.24 -61.89 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.727 HD12 HG21 ' A' ' 77' ' ' VAL . 4.0 mm? -70.76 -7.02 41.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.3 t70 -48.92 -57.87 5.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.677 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -59.71 -56.99 14.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.528 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -38.75 -33.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.087 HD21 HG11 ' A' ' 77' ' ' VAL . 73.3 mt -90.23 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' LEU . 7.5 mttp -39.6 -50.63 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.6 p -39.47 -45.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.2 mtp180 -90.97 -31.13 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.59 10.49 23.24 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.82 HD22 ' SG ' ' A' ' 48' ' ' CYS . 19.5 mt -64.97 169.08 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.474 ' ND2' ' H ' ' A' ' 45' ' ' GLN . 5.3 t30 -117.13 173.06 6.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.474 ' H ' ' ND2' ' A' ' 44' ' ' ASN . 13.9 mp0 -107.7 41.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.23 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -140.89 -51.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.8 m -94.65 28.01 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.82 ' SG ' HD22 ' A' ' 43' ' ' LEU . 64.2 m -141.22 143.01 33.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.316 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.563 HG13 ' CE1' ' A' ' 51' ' ' TYR . 7.2 p -125.76 159.7 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.7 ' HB ' HG22 ' A' ' 61' ' ' THR . 56.2 t -126.55 120.12 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.563 ' CE1' HG13 ' A' ' 49' ' ' VAL . 5.9 m-85 -100.56 141.0 34.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.935 ' HA ' HD23 ' A' ' 75' ' ' LEU . 8.9 mtm180 -100.55 132.41 45.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.428 HD21 ' CD1' ' A' ' 76' ' ' ILE . 1.1 mm? -79.85 105.28 11.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -126.95 95.32 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.01 37.57 11.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.32 46.66 62.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -144.94 110.41 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.786 . . . . 0.0 110.28 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HE3' ' CD1' ' A' ' 76' ' ' ILE . 12.9 mptt -57.96 110.88 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.454 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.2 m -108.48 99.77 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' THR . 53.1 t -40.28 143.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.7 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -127.15 163.37 23.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.866 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -100.84 157.8 16.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.55 ' CH2' HG23 ' A' ' 50' ' ' VAL . 86.0 m95 -81.8 -35.84 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -34.31 77.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.866 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 5.9 m -43.89 159.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.77 172.15 8.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.606 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.2 tp -110.52 5.92 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.665 ' N ' ' CD ' ' A' ' 69' ' ' PRO . . . -78.06 -42.25 2.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.873 ' C ' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 52.48 3.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.434 1.754 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.873 HD22 ' C ' ' A' ' 69' ' ' PRO . 4.0 mm? -136.23 -59.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.708 ' HA ' HG11 ' A' ' 24' ' ' VAL . 5.9 t70 58.0 -89.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -124.44 111.8 1.66 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.609 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -174.07 -166.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 2.2 mt-10 -145.84 140.92 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.935 HD23 ' HA ' ' A' ' 52' ' ' ARG . 7.1 mt -124.11 156.15 37.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.443 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 71.6 mt -119.14 116.74 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.087 HG11 HD21 ' A' ' 38' ' ' LEU . 88.6 t -93.2 103.7 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.428 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -102.41 159.27 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.3 p -114.15 117.15 54.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.7 ' HB ' HG12 ' A' ' 21' ' ' VAL . 8.0 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.917 HG23 HG22 ' A' ' 24' ' ' VAL . 90.1 t -138.57 141.92 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -88.0 131.04 34.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.507 HG11 ' CD1' ' A' ' 34' ' ' LEU . 73.2 t -116.92 116.25 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -89.2 111.28 22.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.749 HD13 ' HD2' ' A' ' 41' ' ' ARG . 11.8 mt -83.58 162.78 52.15 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -2.71 12.9 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.449 1.763 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.514 ' ND2' HH21 ' A' ' 41' ' ' ARG . 1.3 t30 -94.91 38.67 1.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? 44.83 27.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -122.02 169.57 10.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.32 149.94 40.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.8 t -141.52 133.81 28.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.7 HG12 ' HB ' ' A' ' 9' ' ' THR . 2.7 t -90.13 129.83 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.9 t -120.99 153.66 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 m -75.85 144.29 41.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.917 HG22 HG23 ' A' ' 10' ' ' VAL . 2.2 t -90.88 109.83 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.631 ' O ' HG23 ' A' ' 67' ' ' ILE . 0.7 OUTLIER -113.62 133.27 55.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -98.1 49.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.11 38.8 0.29 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.909 ' O ' HG22 ' A' ' 67' ' ' ILE . 17.3 ptm -167.81 148.97 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 0.788 . . . . 0.0 110.998 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -73.54 -171.92 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.585 HG13 HD23 ' A' ' 34' ' ' LEU . 72.4 t -87.52 -33.9 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' ASP . 57.0 t80 -56.93 -59.69 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.33 -25.15 61.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.45 -62.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.585 HD23 HG13 ' A' ' 30' ' ' VAL . 3.2 mm? -67.37 -10.78 54.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.9 t70 -48.52 -59.37 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.554 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -63.24 -54.66 33.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.506 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -39.66 -36.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.04 HD21 HG11 ' A' ' 77' ' ' VAL . 80.8 mt -90.14 -57.57 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -40.61 -50.77 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.1 p -39.36 -42.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.749 ' HD2' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -94.45 -31.55 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.87 6.88 22.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.659 HD22 ' SG ' ' A' ' 48' ' ' CYS . 25.3 mt -67.46 140.03 57.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -100.06 160.34 14.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -94.72 39.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.35 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.05 -45.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.6 t -109.68 35.71 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.246 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.659 ' SG ' HD22 ' A' ' 43' ' ' LEU . 23.5 m -140.92 144.28 35.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.524 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.5 p -129.93 150.04 34.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.628 ' HB ' HG22 ' A' ' 61' ' ' THR . 39.8 t -117.31 129.25 74.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.524 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 4.4 m-85 -107.98 140.83 40.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.674 ' HD2' HD21 ' A' ' 75' ' ' LEU . 9.8 mtm-85 -99.6 146.76 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.13 102.46 15.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -125.33 93.39 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.08 42.34 12.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.81 52.01 46.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -149.28 110.3 4.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 0.754 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 103.25 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.437 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 2.0 m -103.7 101.71 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.2 t -39.45 157.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.628 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -139.23 158.9 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.739 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -87.56 162.21 17.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -88.98 -24.98 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -93.43 34.15 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.739 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 15.5 m -104.46 160.26 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.68 152.36 23.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.909 HG22 ' O ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -101.04 19.87 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.879 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -79.02 -57.23 0.78 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.879 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 54.47 3.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.794 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.5 mm? -136.33 -43.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 70' ' ' LEU . 24.9 t0 -31.77 106.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.6 57.89 1.09 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -164.77 -165.55 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.4 mt-10 -154.3 124.51 6.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.674 HD21 ' HD2' ' A' ' 52' ' ' ARG . 19.9 mt -104.75 150.01 25.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.8 mt -118.46 116.35 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.04 HG11 HD21 ' A' ' 38' ' ' LEU . 98.3 t -93.94 127.78 45.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.493 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -136.74 169.45 17.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 110.316 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.6 HG22 ' SG ' ' A' ' 48' ' ' CYS . 42.1 t -102.09 134.81 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.1 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.636 ' HB ' HG12 ' A' ' 21' ' ' VAL . 3.3 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.3 t -139.39 145.2 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.6 132.02 37.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.95 HG11 HD11 ' A' ' 34' ' ' LEU . 89.0 t -120.63 115.03 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -81.38 118.53 22.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' A' ' 41' ' ' ARG . 11.5 mt -88.22 161.55 42.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.98 4.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -160.78 30.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt 57.07 17.53 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.05 170.44 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.242 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.9 154.36 41.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.409 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.7 t -138.17 134.18 34.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.636 HG12 ' HB ' ' A' ' 9' ' ' THR . 3.4 t -88.0 132.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 t -125.79 151.47 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.9 m -80.9 143.41 32.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' A' ' 71' ' ' ASP . 1.2 t -87.44 109.76 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.5 OUTLIER -111.78 128.38 56.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -86.26 73.78 10.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -179.61 -67.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.595 ' CG ' HG21 ' A' ' 67' ' ' ILE . 13.2 ptm -54.49 169.68 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 0.76 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 1.2 p -109.84 175.81 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.44 -41.47 92.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' ASP . 11.1 t80 -60.26 -54.59 43.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -18.27 57.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.7 -59.2 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.958 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.95 HD11 HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -74.51 -2.02 23.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' TYR . 4.6 t70 -53.36 -50.87 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.636 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -75.07 -54.29 7.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.506 ' CB ' HD13 ' A' ' 34' ' ' LEU . . . -38.31 -33.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.895 HD21 HG11 ' A' ' 77' ' ' VAL . 21.6 mt -87.9 -63.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.4 mttp -43.22 -53.27 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.636 HG12 ' O ' ' A' ' 36' ' ' LYS . 12.7 p -41.05 -42.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.429 ' HD2' HD13 ' A' ' 14' ' ' LEU . 22.7 mtp85 -87.98 -27.26 22.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 104.53 12.61 28.2 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.811 HD22 ' SG ' ' A' ' 48' ' ' CYS . 34.4 mt -73.79 171.5 13.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -122.04 169.39 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -99.16 39.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -142.45 -47.08 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' LEU . 11.2 p -93.67 23.02 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.811 ' SG ' HD22 ' A' ' 43' ' ' LEU . 78.7 m -141.36 145.81 35.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 108.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.602 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.1 p -135.69 156.4 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.892 HG22 HG22 ' A' ' 77' ' ' VAL . 57.7 t -120.8 125.04 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CE1' HG13 ' A' ' 49' ' ' VAL . 4.8 m-85 -104.47 137.29 42.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.526 ' HA ' HD23 ' A' ' 75' ' ' LEU . 4.3 mtm105 -95.53 143.71 26.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.41 99.44 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -119.98 93.67 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.7 34.55 12.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.98 49.11 23.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -146.12 110.73 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.25 108.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.2 m -110.25 99.15 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.513 HG13 ' CG2' ' A' ' 49' ' ' VAL . 97.2 t -40.42 141.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.59 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -124.31 138.2 54.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.595 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -69.91 159.37 33.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -81.71 -30.84 32.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 107.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.46 -24.93 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.595 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 3.8 m -48.36 159.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.393 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 29' ' ' SER . . . -98.31 169.46 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.763 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.5 tp -110.57 6.08 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.786 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.04 -52.75 1.84 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.1 Cg_endo -75.07 57.82 4.74 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.762 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.763 HD23 ' HA ' ' A' ' 67' ' ' ILE . 3.3 mm? -136.9 -54.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 6.0 t0 50.87 -92.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -114.75 121.32 5.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.57 -168.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -142.86 140.18 31.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.527 HD22 HG12 ' A' ' 50' ' ' VAL . 12.7 mt -125.77 140.11 52.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 94.9 mt -111.39 114.09 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.895 HG11 HD21 ' A' ' 38' ' ' LEU . 91.6 t -95.32 108.37 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.453 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -110.59 161.56 15.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 p -108.99 117.06 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 47' ' ' CYS . 46.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.588 ' HB ' HG12 ' A' ' 21' ' ' VAL . 2.5 p . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.425 HG23 HG22 ' A' ' 24' ' ' VAL . 24.9 t -140.02 149.01 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -91.55 129.59 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.5 HG11 ' CD1' ' A' ' 34' ' ' LEU . 71.7 t -116.32 112.65 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -84.17 116.42 22.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.451 HD21 ' O ' ' A' ' 37' ' ' ALA . 10.9 mt -88.68 159.15 47.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 70.36 5.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.5 t-20 175.01 51.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER 38.73 30.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' ASN . 2.1 mt-30 -118.14 159.97 22.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.57 150.57 34.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 t -141.19 134.02 28.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.368 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.588 HG12 ' HB ' ' A' ' 9' ' ' THR . 2.2 t -86.48 133.43 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -124.89 160.2 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 m -77.4 156.58 31.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 71' ' ' ASP . 8.9 t -97.64 109.64 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.555 ' O ' HG23 ' A' ' 67' ' ' ILE . 1.0 OUTLIER -108.33 149.33 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -121.03 79.68 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.03 -63.9 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.572 ' O ' HG22 ' A' ' 67' ' ' ILE . 12.9 ptm -54.51 162.42 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -85.7 177.79 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.49 HG13 HD23 ' A' ' 34' ' ' LEU . 73.8 t -77.05 -32.9 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 35' ' ' ASP . 13.1 t80 -59.55 -56.56 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.52 -24.54 66.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.503 ' CB ' HD13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -78.08 -60.31 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.688 HD12 HG21 ' A' ' 77' ' ' VAL . 4.0 mm? -74.14 -3.05 27.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 31' ' ' TYR . 5.9 t0 -52.03 -53.08 46.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -65.82 -56.56 11.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' O ' HD21 ' A' ' 14' ' ' LEU . . . -38.3 -32.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.036 HD21 HG11 ' A' ' 77' ' ' VAL . 52.9 mt -89.58 -62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' GLY . 15.0 mttt -39.56 -53.55 2.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 36' ' ' LYS . 14.7 p -39.0 -45.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' LEU . 22.3 mtp85 -88.92 -27.54 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 103.68 10.58 35.03 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.694 HD22 ' SG ' ' A' ' 48' ' ' CYS . 24.8 mt -65.05 177.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -130.7 157.81 41.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 35' ' ' ASP . 9.9 mp0 -92.37 40.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -138.26 -50.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.6 m -98.01 30.96 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.694 ' SG ' HD22 ' A' ' 43' ' ' LEU . 81.3 m -140.99 151.87 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 108.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.61 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.3 p -136.64 155.04 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.51 ' HB ' HG22 ' A' ' 61' ' ' THR . 26.0 t -121.82 129.76 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.61 ' CE1' HG13 ' A' ' 49' ' ' VAL . 2.7 m-85 -109.14 143.1 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG2' HD23 ' A' ' 75' ' ' LEU . 37.4 mtm180 -115.15 141.4 48.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.593 HD21 ' HD2' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -90.54 96.47 10.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.691 HD13 HG21 ' A' ' 59' ' ' THR . 1.5 mp -98.55 -72.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -107.81 37.86 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.63 33.04 58.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.2 144.33 34.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.299 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.593 ' HD2' HD21 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.23 97.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.691 HG21 HD13 ' A' ' 54' ' ' ILE . 29.3 m -97.45 97.7 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.9 t -44.16 156.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.51 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -138.33 155.87 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.676 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -83.75 162.49 20.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.499 ' CH2' HG23 ' A' ' 50' ' ' VAL . 94.3 m95 -88.68 -44.05 10.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.28 -25.5 65.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.676 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 18.9 m -48.8 170.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 65' ' ' THR . . . -97.67 169.68 9.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.605 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.1 tp -106.83 7.75 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.879 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -71.99 -55.6 5.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.879 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -74.95 57.02 4.4 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.534 1.808 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.774 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.5 mm? -140.79 -44.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.8 t0 -29.08 120.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.46 58.27 2.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.548 ' OE2' HD12 ' A' ' 75' ' ' LEU . 2.2 pp20? -162.14 -169.25 2.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 11.2 mt-10 -147.42 113.94 5.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.573 HD23 ' HG2' ' A' ' 52' ' ' ARG . 1.5 mt -95.18 139.4 31.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 76.6 mt -114.82 113.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.036 HG11 HD21 ' A' ' 38' ' ' LEU . 69.6 t -91.39 130.97 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.35 172.0 13.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.0 t -100.61 132.17 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.505 HD21 ' HB ' ' A' ' 49' ' ' VAL . 8.9 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.72 117.4 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.047 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.08 86.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.017 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.58 74.42 2.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -135.6 128.25 30.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 110.058 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.6 119.18 18.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.81 -139.68 2.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.522 ' O ' HG23 ' A' ' 9' ' ' THR . . . -119.13 65.91 0.4 Allowed Glycine 0 CA--C 1.529 0.949 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 8' ' ' GLY . 0.9 OUTLIER -154.6 172.45 17.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 110.417 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.582 HG23 HG22 ' A' ' 24' ' ' VAL . 9.4 t -142.05 147.76 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 28.4 mttt -96.94 131.14 44.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.437 HG11 ' CD1' ' A' ' 34' ' ' LEU . 24.7 t -116.11 121.49 67.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -94.95 112.33 24.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.447 HD21 ' O ' ' A' ' 37' ' ' ALA . 12.8 mt -85.69 162.66 46.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HG2' HD11 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.02 -6.75 18.43 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.487 1.783 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.567 ' CB ' ' CZ ' ' A' ' 41' ' ' ARG . 1.3 t-20 -91.39 39.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt 43.1 28.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.4 ' N ' ' C ' ' A' ' 16' ' ' ASN . 2.9 mt-30 -122.33 168.7 11.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -141.89 151.37 42.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 t -140.97 135.06 30.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' VAL . 2.9 t -91.88 131.85 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 23' ' ' THR . 22.5 t -122.3 162.89 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.419 ' N ' HG12 ' A' ' 22' ' ' VAL . 40.9 m -86.88 141.44 28.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.582 HG22 HG23 ' A' ' 10' ' ' VAL . 1.8 t -87.95 110.09 20.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 19.9 mtp85 -110.83 153.13 25.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.149 . . . . 0.0 110.322 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -108.23 69.82 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -179.85 -59.99 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.562 ' O ' HG22 ' A' ' 67' ' ' ILE . 11.8 ptm -56.22 165.03 1.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 0.753 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.8 p -101.89 -173.76 2.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.5 t -76.93 -34.22 21.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 38.4 t80 -64.24 -57.02 10.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.1 -16.83 48.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.01 -62.16 1.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.834 HD12 HG21 ' A' ' 77' ' ' VAL . 3.9 mm? -69.36 -10.26 57.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.6 t70 -44.18 -70.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' O ' HG12 ' A' ' 40' ' ' VAL . 8.2 mmmm -55.4 -49.73 71.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.551 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -40.12 -30.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.96 HD21 HG11 ' A' ' 77' ' ' VAL . 37.3 mt -90.39 -59.38 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' VAL . 28.3 mmtt -43.67 -48.28 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.559 HG13 ' HG3' ' A' ' 41' ' ' ARG . 7.3 p -39.85 -31.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.567 ' CZ ' ' CB ' ' A' ' 16' ' ' ASN . 3.3 mtt-85 -108.74 -30.58 8.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.2 5.01 23.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.886 HD22 ' SG ' ' A' ' 48' ' ' CYS . 21.3 mt -60.58 -177.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -152.01 157.32 41.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -88.28 41.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.67 -43.88 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.1 t -119.71 38.37 3.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.886 ' SG ' HD22 ' A' ' 43' ' ' LEU . 95.4 m -141.04 152.21 44.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 108.335 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.615 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 3.5 p -137.33 155.53 31.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.754 ' HB ' HG22 ' A' ' 61' ' ' THR . 42.2 t -122.61 126.45 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.615 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 4.5 m-85 -107.24 142.85 36.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.542 ' HA ' HD23 ' A' ' 75' ' ' LEU . 10.6 mtm180 -102.07 152.23 21.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -94.32 103.03 15.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.3 mp -127.7 108.72 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? 57.16 24.18 9.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.73 46.72 7.68 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -143.74 125.63 15.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 97.11 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -97.87 104.99 17.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.436 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.5 t -40.32 151.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.754 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.1 t -130.95 161.01 32.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.849 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -92.84 161.9 14.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.521 ' CH2' HG23 ' A' ' 50' ' ' VAL . 92.8 m95 -88.72 -41.9 12.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 107.976 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -63.03 -32.48 73.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.849 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 95.9 m -45.03 165.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.55 162.14 13.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.625 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -104.51 -1.68 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.862 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -60.63 -55.14 47.86 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.862 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.97 55.33 3.9 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.797 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.0 mm? -145.23 34.06 1.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 71' ' ' ASP . 4.5 t0 -74.66 118.13 17.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.1 83.38 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -170.26 -170.08 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 110.344 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 4.6 mt-10 -153.85 133.66 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.542 HD23 ' HA ' ' A' ' 52' ' ' ARG . 9.9 mt -112.08 149.78 31.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 89.1 mt -116.07 114.33 45.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.96 HG11 HD21 ' A' ' 38' ' ' LEU . 58.2 t -96.06 116.92 39.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.461 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.3 OUTLIER -124.72 172.13 9.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.7 t -101.02 129.39 52.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.88 112.55 2.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.4 t -166.03 156.29 12.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.062 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 133.44 156.25 7.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 96.15 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.44 1.758 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.86 -57.36 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.05 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.06 108.61 2.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.93 166.25 32.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 109.944 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -40.15 153.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.963 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.42 -179.28 6.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.5 t -172.87 -54.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m 60.11 97.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.05 73.2 1.16 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.5 56.32 0.5 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.409 HG22 ' HA ' ' A' ' 23' ' ' THR . 5.9 p -148.86 178.97 8.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.368 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.507 HG23 HG22 ' A' ' 24' ' ' VAL . 39.2 t -145.08 146.4 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HG3' HG13 ' A' ' 21' ' ' VAL . 6.1 mttt -92.68 131.05 38.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.742 HG11 HD11 ' A' ' 34' ' ' LEU . 76.7 t -116.01 120.92 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -90.5 111.17 22.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 111.05 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 mt -83.64 164.75 43.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.67 20.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.466 1.772 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.524 ' ND2' ' CZ ' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -89.65 42.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt 40.1 29.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 16' ' ' ASN . 3.6 mt-30 -123.38 169.56 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 150.36 43.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.248 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -139.77 131.27 27.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.429 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.458 HG13 ' HG3' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -90.22 120.82 39.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.59 160.33 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.409 ' HA ' HG22 ' A' ' 9' ' ' THR . 53.9 m -87.27 140.7 29.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.507 HG22 HG23 ' A' ' 10' ' ' VAL . 2.2 t -83.0 109.3 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 2.1 mtt180 -106.6 155.52 19.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.325 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -116.36 84.94 2.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.49 -66.18 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.734 ' HG3' HG21 ' A' ' 67' ' ' ILE . 8.3 ptm -58.3 176.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -111.58 176.08 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 66' ' ' ALA . 92.9 t -63.73 -38.28 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.64 ' CD2' ' OE1' ' A' ' 45' ' ' GLN . 11.1 t80 -60.24 -56.23 24.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.15 -23.91 66.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.02 -62.26 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.742 HD11 HG11 ' A' ' 12' ' ' VAL . 3.6 mm? -68.42 -11.83 60.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' TYR . 6.4 t70 -45.14 -60.82 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.429 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -63.06 -55.43 25.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.532 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -39.33 -33.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.864 HD21 HG11 ' A' ' 77' ' ' VAL . 54.2 mt -90.98 -58.95 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.464 ' HA ' ' CE ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -39.57 -49.22 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 37' ' ' ALA . 7.4 p -39.12 -44.58 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.524 ' CZ ' ' ND2' ' A' ' 16' ' ' ASN . 4.5 mtt-85 -96.46 -26.98 15.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.51 16.42 22.46 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.442 1.089 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.904 HD22 ' SG ' ' A' ' 48' ' ' CYS . 18.7 mt -65.66 126.14 27.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 0.795 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.4 134.69 36.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.64 ' OE1' ' CD2' ' A' ' 31' ' ' TYR . 14.4 mt-30 -77.48 56.59 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.336 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -155.31 -45.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.2 m -92.53 16.35 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 108.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.904 ' SG ' HD22 ' A' ' 43' ' ' LEU . 53.4 m -133.86 147.34 51.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.33 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.517 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.7 p -128.57 160.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.619 ' HB ' HG22 ' A' ' 61' ' ' THR . 40.9 t -126.17 129.3 72.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.54 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.8 m-85 -109.52 140.2 43.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.674 ' HA ' HD23 ' A' ' 75' ' ' LEU . 10.0 mtm-85 -95.6 138.86 32.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.53 100.2 11.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.496 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -122.73 93.41 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.04 39.46 13.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.95 50.35 47.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.105 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -146.84 106.86 3.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 0.0 110.288 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.45 103.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.3 m -104.02 101.68 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' THR . 99.3 t -39.5 135.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.619 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -114.23 159.56 20.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.367 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.75 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -99.84 135.95 40.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.604 ' CE3' ' OE1' ' A' ' 45' ' ' GLN . 95.0 m95 -59.75 -43.33 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 108.003 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 65' ' ' THR . 22.7 m-20 -54.29 -39.6 67.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.75 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 8.0 m -38.51 155.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.36 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -85.62 178.22 7.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.77 ' HA ' HD23 ' A' ' 70' ' ' LEU . 2.4 tp -120.07 9.67 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.901 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.97 -56.1 1.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.901 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.06 55.17 3.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.77 HD23 ' HA ' ' A' ' 67' ' ' ILE . 3.1 mm? -137.8 32.88 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -78.79 125.25 29.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.088 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.86 78.6 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.435 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 2.4 pp20? -161.84 -176.3 5.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 0.772 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 2.4 mt-10 -151.8 115.04 4.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' A' ' 52' ' ' ARG . 10.3 mt -97.15 150.47 20.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.6 mt -117.88 111.94 36.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.864 HG11 HD21 ' A' ' 38' ' ' LEU . 43.8 t -94.2 110.25 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.54 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.4 mt-10 -110.97 161.4 15.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.1 p -109.46 124.36 66.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 55.8 mt -65.03 -59.11 4.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 t 70.85 -61.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 171.27 173.08 38.02 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 72.68 4.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 m 60.64 82.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.988 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.81 115.65 25.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 110.05 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.426 1.078 . . . . 0.0 111.008 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.05 -58.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.84 125.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.44 -163.48 13.39 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.08 87.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 0.773 . . . . 0.0 110.047 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.39 170.23 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.45 -118.83 1.61 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.67 57.58 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.575 ' HB ' HG12 ' A' ' 21' ' ' VAL . 13.8 p -152.09 175.79 12.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.406 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.452 HG23 HG22 ' A' ' 24' ' ' VAL . 53.1 t -140.6 152.64 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -91.99 127.91 37.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 19' ' ' ARG . 25.3 t -114.5 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -89.7 110.78 21.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.493 HD13 ' HD2' ' A' ' 41' ' ' ARG . 8.7 mt -82.72 164.14 48.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -8.04 19.74 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 18' ' ' GLN . 1.0 OUTLIER -91.16 40.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.2 mttt 42.05 28.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 16' ' ' ASN . 2.2 mt-30 -121.89 170.58 9.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -140.96 151.05 43.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 t -141.44 136.71 31.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.575 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.6 t -87.21 124.43 40.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.6 t -111.17 156.05 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.3 m -89.53 138.29 31.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.411 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.69 HG12 ' OD1' ' A' ' 26' ' ' ASP . 1.4 t -88.55 110.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -96.8 -29.97 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.69 ' OD1' HG12 ' A' ' 24' ' ' VAL . 25.2 m-20 60.51 115.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.64 -61.26 0.58 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.414 ' SD ' ' HB2' ' A' ' 25' ' ' ARG . 20.8 ptm -55.92 165.74 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 0.76 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -76.46 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.029 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.525 HG13 HD23 ' A' ' 34' ' ' LEU . 58.2 t -83.19 -26.85 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 21.8 t80 -61.3 -59.42 5.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -61.26 -25.14 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.78 -62.46 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.988 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.791 HD12 HG21 ' A' ' 77' ' ' VAL . 4.2 mm? -70.28 -9.78 57.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.5 t70 -46.65 -71.58 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.75 -52.7 29.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.536 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -41.96 -30.84 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.041 HD21 HG11 ' A' ' 77' ' ' VAL . 49.1 mt -91.88 -55.82 3.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.0 mmmt -43.42 -47.65 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 37' ' ' ALA . 7.3 p -39.07 -34.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.506 ' HG3' HG13 ' A' ' 40' ' ' VAL . 1.9 mtt85 -107.72 -27.36 10.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.67 9.24 33.37 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.421 1.075 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.91 HD22 ' SG ' ' A' ' 48' ' ' CYS . 16.3 mt -57.94 159.14 5.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 0.792 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -108.0 156.85 18.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.411 ' HG3' HD12 ' A' ' 38' ' ' LEU . 14.7 mp0 -94.74 40.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.94 -47.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.1 m -95.58 27.13 3.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 108.332 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.91 ' SG ' HD22 ' A' ' 43' ' ' LEU . 86.5 m -141.07 149.15 41.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 108.266 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.562 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.6 p -133.73 163.54 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.093 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.536 ' HB ' HG22 ' A' ' 61' ' ' THR . 40.2 t -128.73 124.84 62.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.2 m-85 -105.88 142.57 35.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.7 ' HG2' HD23 ' A' ' 75' ' ' LEU . 18.9 mtm180 -120.43 137.3 54.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.34 100.28 9.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.73 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.1 mp -100.73 -66.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.489 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -120.86 49.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.25 21.02 71.81 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -132.81 140.25 47.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.99 98.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.73 ' HB ' HD13 ' A' ' 54' ' ' ILE . 11.8 m -95.64 100.04 11.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.41 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.423 HG13 HG23 ' A' ' 49' ' ' VAL . 75.2 t -47.46 159.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.536 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.1 t -133.16 159.09 41.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.902 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -90.17 147.92 23.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.401 ' CH2' HG23 ' A' ' 50' ' ' VAL . 89.2 m95 -73.87 -24.3 59.72 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -78.85 -35.69 43.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.902 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 33.5 m -40.47 161.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.12 158.96 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.684 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -97.84 18.57 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.86 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -78.71 -55.75 0.98 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.86 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 55.06 3.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.813 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.6 mm? -137.66 -43.67 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.505 ' HB2' HG11 ' A' ' 24' ' ' VAL . 15.3 t70 -32.69 110.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.84 57.32 1.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.599 ' OE2' HD12 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -161.87 -167.86 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.777 . . . . 0.0 110.277 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.9 mt-10 -148.23 120.16 8.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.7 HD23 ' HG2' ' A' ' 52' ' ' ARG . 1.2 mp -102.87 147.07 27.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 92.0 mt -118.3 111.09 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.041 HG11 HD21 ' A' ' 38' ' ' LEU . 57.2 t -91.87 113.8 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.7 mt-10 -115.27 161.54 18.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.4 p -110.57 121.9 64.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 90.0 mt -59.84 122.08 13.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.85 102.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.019 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 128.52 155.09 8.52 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.25 25.14 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.536 1.808 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 95.2 p -124.32 157.79 34.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.028 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.06 -58.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 52.13 87.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 109.999 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -141.48 158.2 44.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.008 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.49 151.8 20.0 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -46.2 122.27 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.728 . . . . 0.0 110.002 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t 178.95 97.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 110.003 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.76 -73.23 0.64 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.34 58.56 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.716 ' HB ' HG12 ' A' ' 21' ' ' VAL . 13.3 p -150.23 173.71 13.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.421 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.684 HG23 HG22 ' A' ' 24' ' ' VAL . 89.3 t -138.4 141.45 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -85.36 125.53 33.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 19' ' ' ARG . 25.3 t -111.33 113.11 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -83.7 114.03 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.587 HD13 ' HD2' ' A' ' 41' ' ' ARG . 9.6 mt -87.71 158.72 50.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HG2' HD11 ' A' ' 43' ' ' LEU . 18.2 Cg_endo -75.0 70.69 5.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.5 t-20 174.72 51.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER 38.5 31.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 16' ' ' ASN . 6.2 mt-30 -118.7 158.99 24.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 3.7 ptt180 -145.3 150.83 37.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.6 t -141.11 129.1 21.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.401 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.716 HG12 ' HB ' ' A' ' 9' ' ' THR . 2.2 t -84.11 128.84 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -118.52 156.57 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.4 m -83.54 143.52 30.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.684 HG22 HG23 ' A' ' 10' ' ' VAL . 1.9 t -92.45 109.55 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -114.18 111.17 21.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -71.7 64.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.17 -52.87 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.55 ' O ' HG22 ' A' ' 67' ' ' ILE . 14.6 ptm -67.1 164.95 16.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 0.725 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m -97.86 177.68 5.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -72.98 -43.2 59.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' ASP . 55.2 t80 -55.25 -55.74 27.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -60.05 -23.4 63.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.11 -62.39 1.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.66 HD12 HG21 ' A' ' 77' ' ' VAL . 3.4 mm? -67.09 -10.97 55.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' TYR . 9.1 t0 -49.18 -52.08 28.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.536 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -74.28 -50.58 18.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.531 ' CB ' HD13 ' A' ' 34' ' ' LEU . . . -39.68 -30.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.007 HD21 HG11 ' A' ' 77' ' ' VAL . 60.0 mt -90.95 -57.76 2.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -40.73 -51.3 3.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 36' ' ' LYS . 5.3 p -38.61 -42.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.587 ' HD2' HD13 ' A' ' 14' ' ' LEU . 2.9 mtt-85 -96.13 -25.01 16.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 103.51 9.33 38.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.592 HD22 ' SG ' ' A' ' 48' ' ' CYS . 25.8 mt -67.17 160.95 25.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -121.07 163.27 18.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -95.01 41.39 1.09 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.91 -52.29 1.55 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.6 t -105.94 37.2 2.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 108.301 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.592 ' SG ' HD22 ' A' ' 43' ' ' LEU . 92.7 m -140.55 160.33 40.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 108.343 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.586 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.6 p -150.08 152.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.77 HG22 HG22 ' A' ' 77' ' ' VAL . 27.4 t -120.21 126.11 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.586 ' CE1' HG13 ' A' ' 49' ' ' VAL . 3.2 m-85 -104.99 143.47 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.524 ' NH1' HD11 ' A' ' 70' ' ' LEU . 6.3 mtm180 -102.64 140.94 36.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.46 105.42 14.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -126.53 94.31 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.3 37.32 11.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.13 51.92 30.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -150.98 110.29 3.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 110.273 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.35 110.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.465 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.1 m -111.63 97.58 6.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.467 HG13 ' CG2' ' A' ' 49' ' ' VAL . 65.3 t -39.49 149.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.492 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -125.97 163.74 22.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.359 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.882 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -91.19 162.63 14.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.53 ' CH2' HG23 ' A' ' 50' ' ' VAL . 90.6 m95 -91.74 -20.47 21.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 107.983 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.06 21.21 8.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.882 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 13.9 m -96.46 159.26 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.54 154.07 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.701 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -101.74 16.85 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.881 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.13 -55.83 1.33 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.881 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -74.94 55.18 3.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.866 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.4 mm? -141.24 36.73 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.47 99.44 8.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 85.52 86.81 0.97 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.571 ' OE2' HG11 ' A' ' 10' ' ' VAL . 2.3 pp20? -170.04 -167.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -152.41 119.9 6.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.753 HD22 HG12 ' A' ' 50' ' ' VAL . 46.3 mt -97.34 137.52 36.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.1 mt -114.13 109.84 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.007 HG11 HD21 ' A' ' 38' ' ' LEU . 62.1 t -93.0 110.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 20.6 mt-10 -125.02 150.04 47.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.72 139.92 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.5 mt -73.44 137.03 44.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m 61.98 138.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.954 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.34 96.22 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -47.36 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.769 . . . . 0.0 111.009 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.88 152.33 37.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.46 98.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 110.022 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -62.63 -58.38 7.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 0.773 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -53.23 130.53 34.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.033 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.47 -134.6 1.71 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 t 62.98 136.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 0.737 . . . . 0.0 109.955 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.7 p -70.67 102.17 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.092 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.15 157.77 28.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.447 ' O ' HG23 ' A' ' 9' ' ' THR . . . 79.76 63.59 1.98 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.746 ' HB ' HG12 ' A' ' 21' ' ' VAL . 7.6 p -153.43 169.46 23.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.694 HG21 ' O ' ' A' ' 70' ' ' LEU . 71.0 t -136.86 139.19 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -85.26 125.98 33.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG11 HD11 ' A' ' 34' ' ' LEU . 56.9 t -112.46 110.86 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -78.39 117.16 19.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.95 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 mt -89.22 160.38 42.87 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 70.39 5.32 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 18' ' ' GLN . 2.3 t30 174.04 51.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 38.61 31.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' ASN . 3.6 mt-30 -118.07 163.81 16.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.91 150.3 32.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.409 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.8 t -138.96 126.74 22.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.384 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.746 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.5 t -83.98 124.53 39.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 t -117.51 151.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.8 m -72.93 151.5 41.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.737 HG11 ' HA ' ' A' ' 71' ' ' ASP . 2.1 t -98.59 109.79 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.359 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.68 -157.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -146.73 -48.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.23 58.05 2.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.468 ' CE ' ' OG ' ' A' ' 33' ' ' SER . 19.3 ptm -177.3 158.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 0.724 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.3 p -99.98 -176.72 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.951 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.714 HG13 HD23 ' A' ' 34' ' ' LEU . 72.6 t -74.15 -33.59 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' ASP . 17.3 t80 -59.66 -59.27 5.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -62.04 -22.75 66.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.468 ' OG ' ' CE ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -78.89 -62.77 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.714 HD23 HG13 ' A' ' 30' ' ' VAL . 3.8 mm? -68.3 -14.57 63.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 6.0 t0 -41.98 -57.3 2.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.66 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -63.03 -58.46 7.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.516 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -39.39 -30.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.909 HD21 HG11 ' A' ' 77' ' ' VAL . 25.3 mt -89.08 -63.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' GLY . 13.4 mttt -39.53 -52.5 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.66 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.5 p -39.2 -48.05 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 16' ' ' ASN . 25.1 mtp180 -87.84 -24.61 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 99.96 12.53 39.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.911 HD22 ' SG ' ' A' ' 48' ' ' CYS . 34.1 mt -68.27 167.61 14.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 0.795 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.531 ' ND2' ' H ' ' A' ' 45' ' ' GLN . 2.9 t30 -117.59 172.63 7.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.531 ' H ' ' ND2' ' A' ' 44' ' ' ASN . 15.2 mp0 -103.72 42.58 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.76 -46.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.2 m -93.33 21.98 5.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.282 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.911 ' SG ' HD22 ' A' ' 43' ' ' LEU . 82.2 m -141.12 157.31 45.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 108.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.587 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 3.4 p -141.38 160.56 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.641 ' HB ' HG22 ' A' ' 61' ' ' THR . 21.4 t -128.04 124.07 61.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.587 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 3.4 m-85 -105.12 142.63 34.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.507 ' HG2' HD23 ' A' ' 75' ' ' LEU . 42.2 mtp180 -109.89 133.2 53.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.443 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -78.32 105.13 9.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 59' ' ' THR . 1.7 mp -123.61 101.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 54' ' ' ILE . 0.0 OUTLIER 82.78 -53.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.15 40.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -149.67 143.95 25.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 0.754 . . . . 0.0 110.353 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -71.14 110.12 5.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.341 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 15.9 m -105.53 95.54 5.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.6 t -43.01 148.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.641 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -124.09 156.07 37.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.832 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -88.45 145.61 25.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.537 ' CH2' HG23 ' A' ' 50' ' ' VAL . 84.4 m95 -71.06 -19.81 62.44 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.03 29.04 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.832 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 1.9 m -102.59 151.27 22.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -75.65 160.56 29.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.604 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -113.29 22.9 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.929 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -79.84 -58.67 0.6 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 1.005 ' C ' HD22 ' A' ' 70' ' ' LEU . 18.2 Cg_endo -75.02 51.23 2.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.005 HD22 ' C ' ' A' ' 69' ' ' PRO . 2.2 mm? -141.89 30.13 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.737 ' HA ' HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -59.26 -75.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.51 96.55 1.68 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.545 ' OE2' HD12 ' A' ' 75' ' ' LEU . 1.7 pp20? -169.71 -173.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 5.1 mt-10 -147.33 113.66 5.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.545 HD12 ' OE2' ' A' ' 73' ' ' GLU . 1.1 mt -91.67 143.16 26.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 61.4 mt -117.35 113.01 41.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.909 HG11 HD21 ' A' ' 38' ' ' LEU . 49.3 t -93.62 113.44 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 1.8 mt-10 -115.05 161.43 18.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 p -111.53 119.31 59.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.1 mt -58.16 103.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.33 168.74 4.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 155.98 151.88 6.06 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 84' ' ' SER . 18.2 Cg_endo -75.04 69.77 5.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 83' ' ' PRO . 0.7 OUTLIER 161.08 152.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.976 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 56.18 165.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -63.2 120.11 10.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 109.98 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -137.36 -58.73 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.022 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.28 -65.96 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.41 -59.07 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 0.752 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 m 61.63 169.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.24 175.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.75 61.46 4.51 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.789 ' HB ' HG12 ' A' ' 21' ' ' VAL . 9.7 p -152.07 171.72 17.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 110.407 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.811 HG23 HG22 ' A' ' 24' ' ' VAL . 93.3 t -138.13 143.47 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -84.5 126.22 33.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.562 HG11 ' CD1' ' A' ' 34' ' ' LEU . 55.2 t -115.3 112.46 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -82.57 115.5 21.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 110.955 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD13 ' HD2' ' A' ' 41' ' ' ARG . 9.8 mt -86.15 164.62 37.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -5.23 16.54 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.787 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.497 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -92.42 34.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 37.0 pttt 49.17 23.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -117.56 177.34 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.07 151.31 38.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -140.36 132.82 28.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.431 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.789 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.4 t -87.19 123.41 39.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 23' ' ' THR . 83.8 t -110.62 160.64 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.41 ' N ' HG12 ' A' ' 22' ' ' VAL . 88.7 m -82.07 148.05 28.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.811 HG22 HG23 ' A' ' 10' ' ' VAL . 4.2 t -98.83 109.77 24.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 11.6 mtp180 -115.92 158.99 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -115.56 82.25 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.47 -64.96 0.19 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.633 ' CG ' HG21 ' A' ' 67' ' ' ILE . 15.1 ptm -52.06 169.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.0 p -101.89 -172.43 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.456 HG13 HD23 ' A' ' 34' ' ' LEU . 74.6 t -80.42 -31.56 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASP . 15.2 t80 -64.49 -57.11 10.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.6 -19.6 62.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.607 ' CB ' HD13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -84.14 -62.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.804 HD12 HG21 ' A' ' 77' ' ' VAL . 4.1 mm? -70.57 -7.97 47.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.1 t70 -46.62 -73.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.424 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.6 -50.19 63.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.528 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -39.9 -30.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.894 HD21 HG11 ' A' ' 77' ' ' VAL . 36.4 mt -91.49 -57.66 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.361 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 40' ' ' VAL . 21.5 mmmt -42.36 -48.28 5.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 37' ' ' ALA . 7.2 p -38.95 -35.52 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.476 ' HD2' HD13 ' A' ' 14' ' ' LEU . 3.4 mtt85 -106.24 -28.07 10.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.46 10.47 29.19 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.851 HD22 ' SG ' ' A' ' 48' ' ' CYS . 20.3 mt -60.82 167.53 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.445 ' ND2' ' N ' ' A' ' 45' ' ' GLN . 1.8 t30 -114.29 163.75 14.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.531 ' HG3' HD12 ' A' ' 38' ' ' LEU . 7.4 mp0 -101.06 41.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.418 ' N ' HD22 ' A' ' 44' ' ' ASN . 33.6 t0 -146.37 -46.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.236 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 56.1 m -92.62 22.08 4.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.331 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.851 ' SG ' HD22 ' A' ' 43' ' ' LEU . 62.7 m -140.94 146.09 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 108.304 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.55 HG13 ' CE1' ' A' ' 51' ' ' TYR . 6.3 p -130.15 163.63 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 77' ' ' VAL . 47.7 t -128.58 124.48 61.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 5.1 m-85 -103.59 142.02 35.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.582 ' HG2' HD23 ' A' ' 75' ' ' LEU . 24.1 mtm180 -117.26 145.06 44.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.58 95.67 9.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.915 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.5 mp -92.79 -70.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.544 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -119.05 51.2 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.56 31.18 77.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.25 140.85 28.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 110.274 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HE3' ' CD1' ' A' ' 76' ' ' ILE . 4.2 mttp -62.72 110.05 1.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.915 ' HB ' HD13 ' A' ' 54' ' ' ILE . 2.1 m -108.85 104.7 14.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.435 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.485 HG13 ' CG2' ' A' ' 49' ' ' VAL . 72.7 t -47.7 152.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.29 159.75 35.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.453 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.849 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -88.62 158.68 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -83.76 -27.14 29.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 107.993 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -31.91 59.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.849 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 28.4 m -42.7 162.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.409 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.35 163.49 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.633 HG21 ' CG ' ' A' ' 28' ' ' MET . 0.8 OUTLIER -103.34 12.39 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.892 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -79.66 -56.96 0.73 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.892 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.1 Cg_endo -75.0 53.4 3.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.534 ' O ' ' C ' ' A' ' 71' ' ' ASP . 0.8 OUTLIER -140.36 -43.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.748 ' OD1' HG11 ' A' ' 24' ' ' VAL . 25.7 t70 -29.4 128.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.251 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.86 56.38 3.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.664 ' OE2' HD12 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -160.68 -165.77 1.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 0.792 . . . . 0.0 110.335 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 14.8 mt-10 -147.99 113.17 5.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.664 HD12 ' OE2' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -96.51 144.14 26.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.426 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 84.8 mt -117.39 109.52 27.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.894 HG11 HD21 ' A' ' 38' ' ' LEU . 48.1 t -91.7 112.69 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -115.97 161.08 19.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.474 HG22 ' O ' ' A' ' 81' ' ' SER . 2.1 p -108.18 124.33 64.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.87 -63.83 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.474 ' O ' HG22 ' A' ' 79' ' ' VAL . 0.2 OUTLIER -72.99 115.89 12.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.021 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.01 145.16 37.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.977 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.27 140.88 17.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 t -172.85 100.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.75 157.01 16.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.767 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.99 -58.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.87 -163.3 11.4 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 p -131.06 87.72 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -157.05 139.63 14.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.68 -64.35 4.31 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.65 64.22 0.85 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.432 ' HB ' HG12 ' A' ' 21' ' ' VAL . 6.7 p -148.11 178.67 8.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.399 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.672 HG23 HG22 ' A' ' 24' ' ' VAL . 22.6 t -139.61 150.54 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.547 ' CB ' ' OE2' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -96.41 129.07 43.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 19' ' ' ARG . 75.4 t -118.08 142.93 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -114.92 118.19 32.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.549 HD13 ' HD2' ' A' ' 41' ' ' ARG . 13.8 mt -89.41 157.44 47.36 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 54.13 3.55 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -155.42 24.25 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 mttp 64.48 11.94 6.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -107.32 166.21 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.57 154.43 42.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.2 t -137.72 141.18 41.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.432 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.4 t -93.51 123.78 45.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 23' ' ' THR . 40.8 t -110.03 168.44 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.516 ' N ' HG12 ' A' ' 22' ' ' VAL . 58.0 m -97.33 143.35 28.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.672 HG22 HG23 ' A' ' 10' ' ' VAL . 2.0 t -92.76 110.28 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 23.6 mtp180 -121.21 126.49 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -83.99 78.17 9.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 178.86 -60.08 0.08 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.608 ' CG ' HG21 ' A' ' 67' ' ' ILE . 15.9 ptm -62.65 174.78 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.744 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.7 p -107.53 -175.49 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.483 HG13 HD23 ' A' ' 34' ' ' LEU . 73.0 t -78.21 -32.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 35' ' ' ASP . 48.2 t80 -62.24 -58.8 6.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.84 -22.36 65.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.19 -62.53 1.67 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.817 HD12 HG21 ' A' ' 77' ' ' VAL . 4.0 mm? -67.78 -17.99 64.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.3 t0 -39.28 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.617 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -50.51 -50.5 52.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.52 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -43.2 -29.8 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.994 HD21 HG11 ' A' ' 77' ' ' VAL . 59.0 mt -90.27 -60.37 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 7.2 mmmm -39.96 -50.66 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 36' ' ' LYS . 5.2 p -39.4 -45.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.549 ' HD2' HD13 ' A' ' 14' ' ' LEU . 21.0 mtp85 -91.76 -30.87 16.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.02 10.27 22.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.946 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.554 HD22 ' SG ' ' A' ' 48' ' ' CYS . 23.2 mt -67.41 175.34 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.402 HD22 ' N ' ' A' ' 46' ' ' ASP . 4.2 t30 -135.45 163.58 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -98.11 38.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' N ' HD22 ' A' ' 44' ' ' ASN . 5.4 t0 -125.35 -52.52 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -106.86 42.05 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 108.336 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.554 ' SG ' HD22 ' A' ' 43' ' ' LEU . 90.3 m -141.13 163.43 32.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.606 HG23 HG13 ' A' ' 60' ' ' VAL . 3.2 p -149.31 152.86 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.67 HG22 HG22 ' A' ' 77' ' ' VAL . 42.7 t -121.36 124.75 72.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.601 ' CE1' HG13 ' A' ' 49' ' ' VAL . 2.8 m-85 -103.68 138.46 40.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.956 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.608 ' HG2' HD23 ' A' ' 75' ' ' LEU . 46.7 mtm180 -116.31 138.95 50.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.4 96.28 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.887 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.7 mp -95.2 -64.55 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -121.08 35.25 4.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.266 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.75 11.8 78.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.528 1.142 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -122.12 138.73 54.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.33 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -62.11 98.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.887 ' HB ' HD13 ' A' ' 54' ' ' ILE . 1.5 m -94.1 104.23 16.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.606 HG13 HG23 ' A' ' 49' ' ' VAL . 94.8 t -54.18 142.28 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.561 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -117.99 161.37 19.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.442 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.659 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -87.32 162.34 17.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.521 ' CH2' HG23 ' A' ' 50' ' ' VAL . 92.2 m95 -91.54 -25.95 18.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.48 -28.93 37.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.659 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 16.8 m -45.76 171.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.374 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.517 ' N ' HG22 ' A' ' 65' ' ' THR . . . -100.33 164.58 11.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.608 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.2 tp -106.42 10.99 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.852 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.61 -55.2 1.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.852 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 58.13 4.79 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.804 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.4 mm? -142.46 21.49 2.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.66 113.95 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.67 94.07 0.04 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 2.2 pp20? -175.65 -164.15 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 0.781 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.547 ' OE2' ' CB ' ' A' ' 11' ' ' LYS . 8.6 mm-40 -151.29 134.37 15.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.608 HD23 ' HG2' ' A' ' 52' ' ' ARG . 1.7 mt -115.73 131.22 57.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 77.4 mt -113.97 112.04 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.994 HG11 HD21 ' A' ' 38' ' ' LEU . 95.7 t -89.78 131.73 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.541 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -142.89 171.83 13.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.4 t -97.05 131.84 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.472 HD21 ' HB ' ' A' ' 49' ' ' VAL . 46.8 mt -65.38 93.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.86 -56.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.047 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.04 97.25 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.13 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.59 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.547 1.814 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.61 130.12 39.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.08 168.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 t -174.37 -58.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 m -98.36 154.89 17.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.957 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.63 142.31 3.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.63 -56.86 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 109.965 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -173.71 -56.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.05 112.0 1.14 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.488 ' O ' HG23 ' A' ' 9' ' ' THR . . . -85.36 65.44 4.0 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 8' ' ' GLY . 1.2 p -153.54 174.58 14.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 0.0 110.352 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 71' ' ' ASP . 3.4 t -140.99 145.17 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -92.91 128.74 38.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' HB ' HG22 ' A' ' 20' ' ' THR . 25.5 t -115.24 114.37 46.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -87.44 115.49 24.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD21 ' O ' ' A' ' 37' ' ' ALA . 11.1 mt -89.75 158.27 45.31 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 75.47 3.71 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.416 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER 171.96 42.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 mttt 46.18 25.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' A' ' 16' ' ' ASN . 5.8 mt-30 -112.95 158.43 20.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -146.5 151.87 38.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.405 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.8 t -140.36 134.02 30.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.463 HG12 ' HB ' ' A' ' 9' ' ' THR . 3.6 t -88.5 134.61 27.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.503 HG12 ' N ' ' A' ' 23' ' ' THR . 44.7 t -126.78 166.82 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.503 ' N ' HG12 ' A' ' 22' ' ' VAL . 54.0 m -87.48 148.79 24.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.755 HG11 ' OD2' ' A' ' 71' ' ' ASP . 2.8 t -92.28 109.97 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 9.4 mtt85 -114.94 -169.87 1.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.304 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.421 ' HA ' ' HB2' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -132.3 -49.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.1 -73.31 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.653 ' CG ' HG21 ' A' ' 67' ' ' ILE . 11.7 ptm -42.3 165.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 34.1 m -110.89 -174.9 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.3 t -67.43 -45.6 85.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 35' ' ' ASP . 7.0 t80 -59.0 -51.27 70.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.05 -30.23 70.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.56 -54.84 6.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.646 HD12 HG21 ' A' ' 77' ' ' VAL . 4.2 mm? -83.27 10.88 7.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 31' ' ' TYR . 8.9 t0 -64.58 -53.79 42.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.547 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -70.97 -49.68 42.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.469 ' O ' HD21 ' A' ' 14' ' ' LEU . . . -39.96 -34.5 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.035 HD21 HG11 ' A' ' 77' ' ' VAL . 45.7 mt -89.91 -64.49 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.6 mttp -39.57 -55.09 1.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.5 p -39.44 -44.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 41' ' ' ARG . 8.1 mtp-105 -87.21 -30.4 21.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 106.04 11.34 28.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.871 HD22 ' SG ' ' A' ' 48' ' ' CYS . 24.3 mt -66.0 -177.9 0.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.42 HD22 ' N ' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -136.85 152.33 50.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.42 ' N ' HD22 ' A' ' 44' ' ' ASN . 15.4 mp0 -87.97 42.49 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.4 OUTLIER -143.97 -49.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 35.6 m -95.15 27.45 3.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 108.288 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.871 ' SG ' HD22 ' A' ' 43' ' ' LEU . 90.7 m -140.4 166.72 23.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 108.298 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.616 HG13 ' CE1' ' A' ' 51' ' ' TYR . 5.7 p -149.94 157.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.634 HG22 HG22 ' A' ' 77' ' ' VAL . 21.2 t -125.15 132.63 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.616 ' CE1' HG13 ' A' ' 49' ' ' VAL . 2.7 m-85 -112.55 136.37 52.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 9.7 mtm180 -104.14 137.93 41.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -91.72 92.02 8.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.583 HD13 HG21 ' A' ' 59' ' ' THR . 2.5 mp -99.22 -70.21 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.96 50.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.37 23.61 62.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -131.28 130.21 42.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.36 104.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.583 HG21 HD13 ' A' ' 54' ' ' ILE . 2.0 m -98.21 97.99 9.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -49.01 125.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.478 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -106.92 142.73 36.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.406 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.934 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -75.47 158.16 33.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.503 ' CH2' ' CG2' ' A' ' 50' ' ' VAL . 86.2 m95 -81.29 -52.07 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 108.019 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -50.73 -30.92 15.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.934 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 15.5 m -47.67 158.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 29' ' ' SER . . . -95.47 165.88 12.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.653 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.6 tp -100.73 -0.41 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.84 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -68.29 -54.76 14.11 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.84 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.96 55.59 3.98 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.462 1.77 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.593 HD13 ' HG3' ' A' ' 73' ' ' GLU . 0.1 OUTLIER 176.46 125.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.755 ' OD2' HG11 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -154.4 -60.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' N ' ' OE2' ' A' ' 73' ' ' GLU . . . -80.44 67.16 3.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.593 ' HG3' HD13 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -160.31 -173.83 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 0.779 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -140.8 117.63 11.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.285 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.491 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 1.9 mt -90.25 137.92 31.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 79.4 mt -115.93 113.05 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.035 HG11 HD21 ' A' ' 38' ' ' LEU . 95.6 t -91.9 131.74 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -140.3 168.21 20.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.2 t -101.78 130.24 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.478 HD12 ' O ' ' A' ' 46' ' ' ASP . 57.4 mt -55.83 -68.44 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.7 m -58.47 164.85 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 130.64 -162.46 23.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 173.24 14.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.0 m -76.92 135.1 38.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 94.0 p -113.62 102.66 10.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 0.0 111.018 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 p -123.7 115.96 22.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 110.002 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t 72.08 -60.11 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.06 -75.08 0.29 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t 55.45 98.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 0.0 109.988 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 p -155.2 165.39 36.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.073 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.26 99.94 1.93 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.33 -40.12 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.635 ' HB ' HG12 ' A' ' 21' ' ' VAL . 7.3 p -151.03 171.35 17.45 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.487 0.757 . . . . 0.0 110.435 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 15.0 t -139.22 149.47 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -88.81 127.35 35.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -114.14 108.4 25.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -83.04 116.19 22.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.783 HD21 ' O ' ' A' ' 37' ' ' ALA . 12.1 mt -89.84 158.16 45.22 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 71.96 4.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.0 38.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt 50.34 22.89 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -111.93 160.87 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 110.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.6 150.66 34.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.3 t -141.22 132.7 26.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.635 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.6 t -85.1 124.89 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.9 t -114.87 160.12 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.4 m -83.18 145.0 29.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.599 HG11 ' HB2' ' A' ' 71' ' ' ASP . 2.9 t -82.81 109.54 16.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.508 ' CB ' ' SD ' ' A' ' 28' ' ' MET . 5.2 mmt180 -105.58 159.57 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -136.05 43.46 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.42 41.94 0.24 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.508 ' SD ' ' CB ' ' A' ' 25' ' ' ARG . 14.8 ptm -164.74 159.02 18.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 0.759 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.2 m -79.66 177.23 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.956 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.479 HG13 HD23 ' A' ' 34' ' ' LEU . 34.9 t -79.07 -32.49 15.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' ASP . 9.4 t80 -60.68 -53.81 52.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -63.1 -24.42 67.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.464 ' CB ' HD13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -78.27 -61.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.807 HD12 HG21 ' A' ' 77' ' ' VAL . 4.1 mm? -72.37 -5.9 39.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.1 t70 -45.68 -63.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -54.86 -54.37 43.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.783 ' O ' HD21 ' A' ' 14' ' ' LEU . . . -39.84 -31.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.945 HD21 HG11 ' A' ' 77' ' ' VAL . 37.0 mt -90.76 -52.5 4.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -41.36 -49.59 3.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.5 p -50.34 -45.22 24.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.467 ' HB2' HD12 ' A' ' 43' ' ' LEU . 20.2 mtp85 -95.45 17.14 15.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.26 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 47.27 27.09 3.69 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 41' ' ' ARG . 28.1 mt -76.79 -177.84 4.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 0.74 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -134.78 164.18 28.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.465 ' HG3' HD12 ' A' ' 38' ' ' LEU . 14.1 mp0 -100.21 35.52 2.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -125.69 -49.0 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -104.28 35.03 2.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 108.333 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 78' ' ' GLU . 78.9 m -140.98 147.74 39.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 108.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.556 HG13 ' CE1' ' A' ' 51' ' ' TYR . 2.4 p -134.68 147.1 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.69 ' HB ' HG22 ' A' ' 61' ' ' THR . 38.4 t -113.96 126.98 71.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.556 ' CE1' HG13 ' A' ' 49' ' ' VAL . 3.0 m-85 -102.95 138.82 39.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.493 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 12.0 mtm-85 -98.89 136.41 38.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 76' ' ' ILE . 1.3 mm? -80.95 102.83 10.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.493 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -125.29 94.78 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 62.83 35.84 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.81 47.04 42.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -144.79 111.17 5.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 110.311 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.06 103.06 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.431 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.0 OUTLIER -103.63 101.78 11.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.44 HG13 HG23 ' A' ' 49' ' ' VAL . 59.5 t -39.16 147.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.69 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -127.79 164.49 22.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.411 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.869 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -95.06 157.83 15.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.626 ' CH2' HG23 ' A' ' 50' ' ' VAL . 91.3 m95 -85.92 -41.05 15.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 108.048 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -65.0 -28.92 69.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.869 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 43.7 m -46.71 168.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 110.397 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.454 ' N ' HG22 ' A' ' 65' ' ' THR . . . -96.19 169.49 9.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.72 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.1 tp -109.23 18.66 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.881 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -80.29 -56.23 0.72 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.881 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.03 56.03 4.14 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.431 1.753 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.731 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.8 mm? -133.13 -42.24 0.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.599 ' HB2' HG11 ' A' ' 24' ' ' VAL . 15.2 t0 -32.03 115.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.52 56.13 2.32 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -162.82 -169.88 2.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 7.1 mt-10 -146.49 122.46 10.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.627 HD22 HG12 ' A' ' 50' ' ' VAL . 57.1 mt -102.61 130.86 49.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 84.1 mt -110.33 113.13 43.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.945 HG11 HD21 ' A' ' 38' ' ' LEU . 61.2 t -88.92 128.65 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -137.54 167.29 21.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.433 HG22 HD22 ' A' ' 43' ' ' LEU . 70.1 t -102.91 130.66 52.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 mt -58.47 120.14 8.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.17 -53.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 112.4 155.73 12.63 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 163.6 34.88 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 m -169.52 -60.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.79 106.29 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.026 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 -179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.22 111.8 1.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 0.74 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 m -126.74 129.84 49.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.7 -146.93 4.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -54.62 -65.06 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.2 p -109.62 140.88 42.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.38 -163.06 38.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.93 51.15 0.08 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 22' ' ' VAL . 14.4 p -143.45 179.71 6.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.383 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.496 HG23 HG22 ' A' ' 24' ' ' VAL . 22.1 t -141.34 149.96 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.91 131.82 36.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.51 HG11 HD11 ' A' ' 34' ' ' LEU . 84.8 t -119.14 139.75 45.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -110.91 114.87 28.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.409 HD21 ' O ' ' A' ' 37' ' ' ALA . 17.1 mt -87.33 156.84 53.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.54 3.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.444 1.76 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.45 ' CG ' ' NH2' ' A' ' 41' ' ' ARG . 1.4 t-20 -156.6 25.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.9 mttt 62.48 13.43 6.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.34 165.9 11.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.257 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 4.1 ptt85 -145.05 156.9 44.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.6 t -139.45 144.61 38.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.361 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.3 t -93.13 122.19 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 23' ' ' THR . 54.6 t -109.91 165.2 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.484 ' N ' HG12 ' A' ' 22' ' ' VAL . 46.3 m -97.49 140.48 31.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 10' ' ' VAL . 1.6 t -86.72 109.63 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 4.4 mtp-105 -115.19 149.58 37.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.247 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -106.08 74.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.64 -57.83 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.545 ' CG ' HG21 ' A' ' 67' ' ' ILE . 14.2 ptm -58.1 166.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 0.0 111.037 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 7.7 m -102.51 -169.95 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.4 t -80.17 -35.92 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.602 ' CE2' ' CD ' ' A' ' 45' ' ' GLN . 8.0 t80 -67.46 -53.05 32.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -62.11 -14.56 38.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.492 ' OG ' ' CE ' ' A' ' 28' ' ' MET . 0.4 OUTLIER -91.87 -60.85 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.017 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.757 HD12 HG21 ' A' ' 77' ' ' VAL . 4.1 mm? -72.22 -5.35 35.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' TYR . 5.3 t70 -46.31 -63.12 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.41 ' O ' HG12 ' A' ' 40' ' ' VAL . 14.7 mmmt -59.4 -53.78 54.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.644 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -41.13 -32.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.857 HD21 HG11 ' A' ' 77' ' ' VAL . 21.5 mt -92.03 -54.24 3.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -48.06 -34.82 10.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.652 HG13 ' HG3' ' A' ' 41' ' ' ARG . 14.7 p -59.66 -32.74 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.652 ' HG3' HG13 ' A' ' 40' ' ' VAL . 2.9 mtt-85 -109.94 2.62 19.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 65.73 22.98 70.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.105 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.432 HD22 ' SG ' ' A' ' 48' ' ' CYS . 31.6 mt -70.71 162.69 28.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -102.7 160.51 14.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 31' ' ' TYR . 2.1 mp0 -97.01 22.46 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 80' ' ' LEU . 39.9 t0 -129.56 -43.14 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.0 m -91.28 20.08 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 108.274 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.445 ' SG ' HG22 ' A' ' 79' ' ' VAL . 71.9 m -137.5 147.52 45.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 108.323 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.453 HG22 ' CE1' ' A' ' 51' ' ' TYR . 1.5 p -132.9 159.41 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.731 ' HB ' HG22 ' A' ' 61' ' ' THR . 40.9 t -126.09 122.63 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 3.5 m-85 -101.09 139.7 36.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.458 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 17.6 mtp180 -102.97 133.78 47.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.24 103.19 7.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.9 mp -126.41 93.49 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.61 23.96 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.32 36.46 23.85 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.539 1.149 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -135.22 112.76 10.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.768 . . . . 0.0 110.253 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.25 105.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 24.2 m -105.75 99.67 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.433 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.2 t -39.58 153.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.731 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.0 OUTLIER -135.91 151.02 49.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.656 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -79.77 162.11 25.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.462 ' CH2' HG23 ' A' ' 50' ' ' VAL . 95.9 m95 -89.48 -37.45 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 108.029 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.58 -32.48 72.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.656 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 17.1 m -46.05 171.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 65' ' ' THR . . . -100.39 163.54 12.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.621 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -104.21 10.08 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.853 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -69.85 -55.26 8.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.858 ' C ' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.02 54.78 3.75 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.574 1.829 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.858 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.4 mm? -144.12 24.18 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.52 123.11 22.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.67 76.77 0.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' OE2' HG11 ' A' ' 10' ' ' VAL . 2.8 pp20? -165.34 -167.72 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 4.4 mt-10 -150.01 117.02 5.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.363 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.484 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 4.4 mt -95.82 137.84 34.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 65.0 mt -113.9 114.36 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.857 HG11 HD21 ' A' ' 38' ' ' LEU . 58.8 t -92.42 125.01 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.515 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -133.03 169.75 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.445 HG22 ' SG ' ' A' ' 48' ' ' CYS . 43.6 t -104.79 133.72 48.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 46' ' ' ASP . 26.5 mt -59.76 111.34 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.16 . . . . 0.0 109.348 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.9 t -151.64 145.69 25.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.987 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.82 143.34 5.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 71.19 5.06 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.19 89.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.62 167.1 27.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 110.026 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.132 . . . . 0.0 110.997 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 4' ' ' GLY . 4.0 t 49.14 96.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 110.005 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 t 61.6 -81.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 93.06 137.86 8.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m 57.09 92.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 109.934 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -153.09 110.17 3.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.06 -142.39 17.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' ' 9' ' ' THR . . . -156.78 64.9 0.31 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.671 ' HB ' HG12 ' A' ' 21' ' ' VAL . 9.7 p -153.51 171.96 17.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 0.795 . . . . 0.0 110.4 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.775 HG23 HG22 ' A' ' 24' ' ' VAL . 54.1 t -136.24 146.07 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -92.07 130.63 37.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.713 HG11 HD11 ' A' ' 34' ' ' LEU . 65.2 t -120.45 120.89 64.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -87.54 117.01 26.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.9 mt -89.14 159.56 44.81 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 73.54 4.29 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.407 ' C ' ' N ' ' A' ' 18' ' ' GLN . 1.9 t-20 173.85 40.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt 47.77 24.68 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' N ' ' C ' ' A' ' 16' ' ' ASN . 9.7 mt-30 -111.87 162.53 15.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.307 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.68 153.68 41.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.423 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.4 t -141.39 136.91 31.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.671 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.8 t -92.76 126.1 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 23' ' ' THR . 43.8 t -115.16 162.26 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.42 ' N ' HG12 ' A' ' 22' ' ' VAL . 81.2 m -89.37 133.38 34.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.775 HG22 HG23 ' A' ' 10' ' ' VAL . 1.8 t -83.18 109.8 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.92 174.38 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.342 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -134.16 49.16 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.35 44.25 0.21 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.511 ' CG ' HG21 ' A' ' 67' ' ' ILE . 15.5 ptm -169.09 163.12 11.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 111.036 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.0 p -92.98 -177.79 4.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.673 HG13 HD23 ' A' ' 34' ' ' LEU . 73.1 t -78.15 -28.85 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ASP . 32.2 t80 -62.85 -56.79 14.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -62.57 -27.0 68.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.53 -62.49 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.035 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.713 HD11 HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -68.21 -13.73 62.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.1 t70 -41.36 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.436 ' O ' HG12 ' A' ' 40' ' ' VAL . 1.4 ptmt -50.85 -44.47 59.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 34' ' ' LEU . . . -47.02 -29.97 2.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.912 HD21 HG11 ' A' ' 77' ' ' VAL . 40.7 mt -91.58 -57.27 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 7.5 mmmm -44.59 -52.01 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 36' ' ' LYS . 14.1 p -38.08 -47.37 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.432 ' N ' HG13 ' A' ' 40' ' ' VAL . 26.0 mtp85 -87.9 -32.32 19.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.0 10.88 20.02 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.64 HD22 ' SG ' ' A' ' 48' ' ' CYS . 26.1 mt -67.85 178.35 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -131.77 159.72 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 35' ' ' ASP . 3.1 mp0 -94.42 41.69 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.656 ' O ' HD12 ' A' ' 80' ' ' LEU . 1.7 t70 -140.24 -47.01 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.366 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.429 ' O ' HG13 ' A' ' 79' ' ' VAL . 57.8 m -101.83 32.85 3.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 108.303 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.64 ' SG ' HD22 ' A' ' 43' ' ' LEU . 93.0 m -141.35 151.4 43.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 108.316 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.523 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.4 p -137.73 148.84 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.535 HG22 HG22 ' A' ' 77' ' ' VAL . 24.6 t -117.39 125.05 73.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.523 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.4 m-85 -104.22 140.28 38.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.524 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 6.9 mtm105 -105.51 134.44 48.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.464 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -81.66 103.73 11.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.553 HD13 HG21 ' A' ' 59' ' ' THR . 1.7 mp -123.53 107.14 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.54 -55.26 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.35 40.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.02 153.28 37.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.76 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -78.32 113.03 15.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.553 HG21 HD13 ' A' ' 54' ' ' ILE . 1.0 OUTLIER -106.42 102.47 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.421 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.5 t -47.41 137.8 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.29 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.508 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.3 t -113.11 163.46 14.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.813 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -101.46 136.96 40.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.516 ' CH2' HG23 ' A' ' 50' ' ' VAL . 89.7 m95 -63.98 -26.41 68.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 108.015 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -72.76 -39.07 67.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.813 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 17.9 m -39.52 159.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 110.44 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.47 176.51 7.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.511 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.8 tp -117.36 2.87 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.868 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -76.95 -55.48 1.43 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.868 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.99 54.96 3.79 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.843 HD22 ' O ' ' A' ' 69' ' ' PRO . 2.1 mm? -148.72 26.03 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.85 128.3 35.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 67.2 71.87 0.86 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 3.0 pp20? -163.17 -173.55 3.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 0.764 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 2.8 mt-10 -149.36 130.73 14.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 4.7 mt -112.32 152.31 28.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.0 mt -119.0 113.65 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.912 HG11 HD21 ' A' ' 38' ' ' LEU . 60.2 t -94.37 123.46 46.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.424 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -134.14 172.32 13.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.501 HG22 HD22 ' A' ' 43' ' ' LEU . 91.0 t -99.17 132.43 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 46' ' ' ASP . 23.3 mt -58.04 -67.5 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.5 m -79.25 82.6 5.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -146.07 176.71 24.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 152.35 40.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.508 1.794 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.33 108.44 4.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.4 t -71.72 -58.66 3.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.105 . . . . 0.0 110.974 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -93.01 128.33 38.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.746 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.45 92.43 8.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.99 -113.87 1.07 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.095 . . . . 0.0 111.02 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.17 126.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 0.774 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -108.11 135.0 50.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.978 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.86 86.39 0.27 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.56 52.28 0.11 Allowed Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.6 p -144.27 179.18 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 0.731 . . . . 0.0 110.401 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.1 t -143.99 146.31 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HB2' ' OE2' ' A' ' 74' ' ' GLU . 17.8 mttt -89.49 128.8 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.63 HG11 HD11 ' A' ' 34' ' ' LEU . 77.5 t -117.25 112.36 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -81.4 115.28 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 111.025 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.488 HD13 ' HD2' ' A' ' 41' ' ' ARG . 10.0 mt -85.35 163.78 43.54 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -6.38 17.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 111.013 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.8 OUTLIER -91.68 39.28 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? 44.26 27.31 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 16' ' ' ASN . 1.4 mt-30 -122.19 174.67 6.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.99 152.45 46.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.421 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.3 t -141.35 128.39 20.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -87.68 119.69 35.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -108.6 157.61 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.5 m -85.35 150.99 24.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.91 109.89 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.9 OUTLIER -117.39 93.0 4.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -54.65 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.255 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 164.5 -66.68 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.447 ' CG ' HG21 ' A' ' 67' ' ' ILE . 22.0 ptm -56.53 163.49 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -90.49 176.4 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.538 HG13 HD23 ' A' ' 34' ' ' LEU . 74.5 t -77.65 -29.1 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 35' ' ' ASP . 17.4 t80 -63.22 -57.89 8.98 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.437 1.085 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -60.87 -26.16 67.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.06 -62.57 1.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.718 HD12 HG21 ' A' ' 77' ' ' VAL . 3.2 mm? -65.72 -20.39 66.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.4 t0 -44.07 -57.05 3.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -61.02 -55.24 35.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.542 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -43.24 -27.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.975 HD21 HG11 ' A' ' 77' ' ' VAL . 25.7 mt -90.55 -58.61 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -43.34 -48.51 6.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.246 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.542 HG12 ' C ' ' A' ' 37' ' ' ALA . 7.3 p -39.54 -38.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.488 ' HD2' HD13 ' A' ' 14' ' ' LEU . 1.2 mtt85 -101.17 -28.01 12.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 110.322 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.48 9.48 29.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.737 HD22 ' SG ' ' A' ' 48' ' ' CYS . 18.5 mt -61.76 162.83 8.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.81 142.44 45.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.542 ' OE1' ' CZ3' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -86.17 45.42 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.08 -48.76 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 58.4 m -91.94 15.76 12.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 108.249 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.737 ' SG ' HD22 ' A' ' 43' ' ' LEU . 48.7 m -125.15 161.32 27.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 108.311 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.572 HG13 ' CE1' ' A' ' 51' ' ' TYR . 4.1 p -142.85 156.14 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.846 HG22 HG22 ' A' ' 77' ' ' VAL . 42.3 t -125.14 128.19 72.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 78' ' ' GLU . 2.6 m-85 -107.28 142.15 37.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.656 ' HG2' HD23 ' A' ' 75' ' ' LEU . 37.1 mtm180 -119.03 140.51 49.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.321 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.66 98.97 9.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.833 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.4 mp -100.9 -63.48 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -123.8 49.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.77 20.3 68.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -131.84 137.49 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -60.55 98.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.833 ' HB ' HD13 ' A' ' 54' ' ' ILE . 4.0 m -95.4 99.38 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.433 HG13 HG23 ' A' ' 49' ' ' VAL . 77.3 t -48.37 153.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.492 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.2 t -126.54 156.91 40.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.409 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.712 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -84.61 152.09 24.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.542 ' CZ3' ' OE1' ' A' ' 45' ' ' GLN . 62.2 m95 -78.48 -26.47 46.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -92.35 35.13 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.712 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 88.2 m -104.67 165.12 11.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.69 161.14 15.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.447 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -110.47 18.1 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.076 . . . . 0.0 109.333 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.88 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -79.74 -56.52 0.76 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.88 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 50.4 2.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.458 1.767 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.994 HD12 HD11 ' A' ' 75' ' ' LEU . 1.4 mm? -121.87 -41.0 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 70' ' ' LEU . 18.3 t0 -37.3 100.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . 103.02 59.71 0.73 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.745 ' CD ' HD13 ' A' ' 70' ' ' LEU . 4.8 pt-20 -170.76 -177.01 2.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' OE2' ' HB2' ' A' ' 11' ' ' LYS . 6.3 mm-40 -140.88 131.66 25.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.994 HD11 HD12 ' A' ' 70' ' ' LEU . 1.3 mt -110.41 137.15 48.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 81.2 mt -115.61 109.4 28.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.975 HG11 HD21 ' A' ' 38' ' ' LEU . 94.1 t -91.78 115.08 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 18.5 mt-10 -134.14 145.85 49.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.91 136.11 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.7 mt -53.78 100.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.9 p -155.08 169.34 24.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -122.99 -76.17 0.34 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.52 1.138 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.39 21.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.525 1.802 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 t -44.07 -58.94 2.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.25 79.08 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 p 54.57 169.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 0.783 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -155.03 93.12 1.51 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.82 -63.31 0.1 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -120.73 91.14 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 110.009 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -124.67 92.52 3.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.26 135.8 7.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.486 ' O ' HG23 ' A' ' 9' ' ' THR . . . 174.14 -33.61 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.652 ' HB ' HG12 ' A' ' 21' ' ' VAL . 3.8 p -154.25 166.23 33.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 0.783 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.8 t -138.17 147.94 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.354 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -90.79 130.26 36.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.966 HG11 HD11 ' A' ' 34' ' ' LEU . 64.9 t -119.18 112.83 39.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -81.99 118.77 23.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.773 HD13 ' HD2' ' A' ' 41' ' ' ARG . 11.2 mt -89.62 160.6 41.3 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 73.17 4.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.404 ' C ' ' N ' ' A' ' 18' ' ' GLN . 0.9 OUTLIER 173.98 41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt 48.3 24.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 16' ' ' ASN . 3.4 mt-30 -110.5 164.33 12.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.85 151.56 34.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.0 t -141.3 134.72 29.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.384 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.652 HG12 ' HB ' ' A' ' 9' ' ' THR . 2.8 t -87.75 131.09 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.5 t -121.35 155.91 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 96.8 m -83.46 147.79 27.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.418 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 71' ' ' ASP . 1.4 t -95.68 109.89 23.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.7 OUTLIER -115.12 103.38 10.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.43 78.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 175.98 -62.33 0.1 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.547 ' CG ' HG21 ' A' ' 67' ' ' ILE . 20.4 ptm -58.23 168.14 1.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.4 p -96.68 -174.21 2.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 83.6 t -80.61 -42.7 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.552 ' CE1' ' NE2' ' A' ' 45' ' ' GLN . 39.3 t80 -55.54 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.083 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.52 -24.37 31.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -52.88 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.982 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.966 HD11 HG11 ' A' ' 12' ' ' VAL . 4.3 mm? -86.86 17.18 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' TYR . 2.7 t70 -73.28 -50.97 19.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -76.49 -49.8 15.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.544 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -39.45 -31.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.03 HD21 HG11 ' A' ' 77' ' ' VAL . 39.8 mt -88.84 -58.9 2.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 41' ' ' ARG . 11.4 mttt -44.05 -49.33 8.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.566 HG13 ' HG3' ' A' ' 41' ' ' ARG . 10.2 p -40.0 -30.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.773 ' HD2' HD13 ' A' ' 14' ' ' LEU . 3.0 mtt-85 -106.19 -31.33 8.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.74 3.3 18.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.794 HD22 ' SG ' ' A' ' 48' ' ' CYS . 23.3 mt -68.17 168.13 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -138.58 157.22 46.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.552 ' NE2' ' CE1' ' A' ' 31' ' ' TYR . 10.8 mp0 -86.66 44.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -125.52 -50.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.8 t -112.77 38.38 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.322 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.794 ' SG ' HD22 ' A' ' 43' ' ' LEU . 50.1 m -141.0 148.24 39.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 108.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.566 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 5.5 p -133.65 154.63 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.805 HG22 HG22 ' A' ' 77' ' ' VAL . 47.9 t -122.22 121.8 64.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.566 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 5.8 m-85 -100.11 139.74 35.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.702 ' HG2' HD23 ' A' ' 75' ' ' LEU . 27.5 mtm180 -114.34 138.73 50.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.25 93.81 9.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.578 HD13 HG21 ' A' ' 59' ' ' THR . 1.6 mp -95.48 -63.79 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.29 45.91 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.03 22.65 74.26 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -133.57 142.4 48.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.763 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -65.75 107.21 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.578 HG21 HD13 ' A' ' 54' ' ' ILE . 8.1 m -103.56 107.78 18.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.0 t -53.11 144.21 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.453 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -123.15 162.35 22.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.788 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -92.22 162.41 14.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.542 ' CH2' HG23 ' A' ' 50' ' ' VAL . 86.6 m95 -90.49 -19.21 24.1 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -96.33 25.26 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.788 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 5.5 m -98.44 163.43 12.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.36 155.06 19.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.767 ' HA ' HD23 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -101.13 16.69 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.874 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -78.04 -55.94 1.11 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.874 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.04 54.5 3.68 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.478 1.778 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.767 HD23 ' HA ' ' A' ' 67' ' ' ILE . 3.8 mm? -132.67 -42.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.249 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.537 ' HB2' HG11 ' A' ' 24' ' ' VAL . 52.7 t0 -34.49 105.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.08 54.54 1.18 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.5 ' OE2' HD12 ' A' ' 75' ' ' LEU . 1.3 pp20? -161.03 -169.01 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 7.2 mt-10 -147.73 123.71 10.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.254 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.702 HD23 ' HG2' ' A' ' 52' ' ' ARG . 1.2 mt -106.22 139.33 40.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 79.8 mt -116.9 110.91 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.03 HG11 HD21 ' A' ' 38' ' ' LEU . 86.3 t -91.71 126.89 44.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 48' ' ' CYS . 0.2 OUTLIER -139.06 172.0 13.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.508 HG22 ' SG ' ' A' ' 48' ' ' CYS . 62.3 t -98.76 134.46 37.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.81 138.4 58.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.9 t 65.51 144.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -128.72 96.56 0.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -39.4 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.506 1.793 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 65.9 p -132.64 115.83 15.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t 41.47 82.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.106 . . . . 0.0 110.968 179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -119.08 127.92 53.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -156.49 130.01 8.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.86 131.63 6.51 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t 64.42 105.65 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.768 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -135.35 167.94 20.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.13 175.88 42.19 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.409 ' O ' HG23 ' A' ' 9' ' ' THR . . . -141.33 60.51 0.55 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 8' ' ' GLY . 16.1 p -153.25 176.36 12.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.772 . . . . 0.0 110.374 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.1 t -140.25 144.2 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -92.05 129.51 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.428 HG11 ' CD1' ' A' ' 34' ' ' LEU . 17.5 t -114.57 112.73 41.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -83.51 116.09 22.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.8 HD13 ' HD2' ' A' ' 41' ' ' ARG . 6.7 mt -80.95 163.15 56.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 16' ' ' ASN . 18.2 Cg_endo -75.02 92.89 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.777 . . . . 0.0 110.962 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.483 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER 158.31 -56.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 16' ' ' ASN . 0.3 OUTLIER 165.19 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -61.66 161.52 9.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -148.88 151.12 34.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.3 t -130.85 133.01 45.54 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.423 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.401 HG12 ' HB ' ' A' ' 9' ' ' THR . 0.6 OUTLIER -91.5 119.56 38.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.5 t -106.25 155.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 33.4 m -88.93 147.63 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.748 HG11 ' HB2' ' A' ' 71' ' ' ASP . 2.4 t -88.77 110.06 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -117.4 143.03 46.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.25 77.02 2.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.77 -57.38 0.17 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.608 ' CG ' HG21 ' A' ' 67' ' ' ILE . 16.4 ptm -58.06 162.42 3.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 111.044 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 13.4 p -106.08 175.53 5.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.487 HG13 HD23 ' A' ' 34' ' ' LEU . 77.2 t -64.8 -35.34 74.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' ASP . 78.9 t80 -64.04 -57.56 9.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -61.29 -20.36 62.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.44 -62.26 1.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.974 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.76 HD12 HG21 ' A' ' 77' ' ' VAL . 3.5 mm? -66.76 -17.12 64.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.4 t70 -39.89 -71.37 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.721 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -53.47 -49.63 67.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.539 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -41.49 -32.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.965 HD21 HG11 ' A' ' 77' ' ' VAL . 10.2 mt -91.38 -60.88 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' VAL . 3.5 mptt -40.64 -49.44 3.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 36' ' ' LYS . 5.1 p -38.08 -41.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.8 ' HD2' HD13 ' A' ' 14' ' ' LEU . 5.2 mtt-85 -101.56 -24.44 14.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 109.34 5.35 30.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.578 HD22 ' SG ' ' A' ' 48' ' ' CYS . 24.0 mt -64.9 152.75 42.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -109.37 159.4 17.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.607 ' OE1' ' CZ3' ' A' ' 63' ' ' TRP . 2.3 mm100 -96.95 41.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -132.14 -51.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.9 34.76 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 108.272 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.578 ' SG ' HD22 ' A' ' 43' ' ' LEU . 22.3 m -141.01 155.27 46.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 108.269 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.57 HG13 ' CE1' ' A' ' 51' ' ' TYR . 2.5 p -137.32 148.86 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.477 HG22 HG22 ' A' ' 77' ' ' VAL . 25.8 t -116.61 124.76 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE1' HG13 ' A' ' 49' ' ' VAL . 3.0 m-85 -103.43 141.21 36.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.663 ' HG2' HD23 ' A' ' 75' ' ' LEU . 44.2 mtm180 -116.77 146.33 42.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.42 98.03 11.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.869 HD13 ' HB ' ' A' ' 59' ' ' THR . 1.8 mp -99.21 -70.76 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -118.48 52.05 1.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.55 36.49 93.27 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.59 139.28 21.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 0.8 . . . . 0.0 110.262 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.2 108.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.869 ' HB ' HD13 ' A' ' 54' ' ' ILE . 2.2 m -105.92 103.07 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.413 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.557 HG13 HG23 ' A' ' 49' ' ' VAL . 75.5 t -52.07 148.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.87 164.18 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.367 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.717 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -88.45 161.7 16.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.607 ' CZ3' ' OE1' ' A' ' 45' ' ' GLN . 94.3 m95 -90.58 -38.41 13.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.013 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -67.94 -30.06 69.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.717 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 16.8 m -46.95 171.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.505 ' N ' HG22 ' A' ' 65' ' ' THR . . . -99.39 171.95 7.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.616 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.1 tp -109.92 17.05 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.878 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.2 -55.72 1.33 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.878 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 56.96 4.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.496 1.787 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.76 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.5 mm? -139.4 -43.18 0.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.748 ' HB2' HG11 ' A' ' 24' ' ' VAL . 65.1 t0 -28.96 114.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.96 60.15 1.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -165.5 -164.08 0.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 110.295 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' N ' ' OE2' ' A' ' 73' ' ' GLU . 6.0 mt-10 -146.72 134.53 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.663 HD23 ' HG2' ' A' ' 52' ' ' ARG . 2.4 mt -115.28 133.07 56.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 82.0 mt -113.26 110.43 32.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.965 HG11 HD21 ' A' ' 38' ' ' LEU . 58.5 t -88.59 132.88 32.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.536 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -141.13 168.02 20.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.553 HG22 ' SG ' ' A' ' 48' ' ' CYS . 84.8 t -101.88 131.56 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 80' ' ' LEU . 16.6 mt -59.0 138.32 57.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -166.32 136.82 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.019 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -107.83 101.98 1.71 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 58.57 4.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.79 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.54 108.81 13.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.7 m 62.69 119.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.027 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -129.34 154.04 47.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.1 170.7 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.71 88.5 0.03 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p 179.22 77.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 p -149.5 82.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.21 65.93 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.58 -39.83 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.547 ' HB ' HG12 ' A' ' 21' ' ' VAL . 12.2 p -151.89 173.03 15.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 110.425 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.4 t -139.11 149.18 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.74 129.73 39.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' HB ' HG22 ' A' ' 20' ' ' THR . 30.3 t -118.69 111.19 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -80.11 118.25 21.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.565 HD13 ' HD2' ' A' ' 41' ' ' ARG . 9.4 mt -91.17 160.75 36.77 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 77.88 3.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 1.2 p30 168.06 42.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 46.39 25.52 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -111.99 163.85 13.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.22 152.78 37.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.421 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.7 t -138.76 133.29 31.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.547 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.6 t -89.32 124.83 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -114.73 158.25 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 91.4 m -86.07 148.52 25.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.364 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.808 HG11 ' HB2' ' A' ' 71' ' ' ASP . 2.5 t -89.3 110.21 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.0 OUTLIER -108.9 -152.55 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.52 -46.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.06 56.39 2.72 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.556 1.16 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.66 ' CG ' HG21 ' A' ' 67' ' ' ILE . 13.1 ptm -178.13 162.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 0.778 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 94.5 p -105.11 -167.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.497 HG13 HD23 ' A' ' 34' ' ' LEU . 98.1 t -76.95 -38.43 28.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' ASP . 41.2 t80 -58.39 -59.26 5.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.32 -21.38 61.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.06 -62.66 1.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.652 HD12 HG21 ' A' ' 77' ' ' VAL . 3.5 mm? -67.67 -15.44 63.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 31' ' ' TYR . 7.7 t70 -42.01 -55.92 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.549 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -63.36 -56.45 16.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.466 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -39.7 -30.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.933 HD21 HG11 ' A' ' 77' ' ' VAL . 36.0 mt -89.88 -66.47 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' LEU . 15.3 mttt -39.77 -52.76 2.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 36' ' ' LYS . 11.0 p -39.96 -45.9 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HD2' HD13 ' A' ' 14' ' ' LEU . 5.2 mtp-105 -87.16 -32.43 19.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.52 9.72 20.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.473 1.108 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.515 HD22 ' SG ' ' A' ' 48' ' ' CYS . 34.7 mt -69.08 -179.55 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -144.19 156.56 44.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -88.5 40.21 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -125.21 -44.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.522 ' O ' HG13 ' A' ' 79' ' ' VAL . 8.5 t -116.61 37.05 3.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.269 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.515 ' SG ' HD22 ' A' ' 43' ' ' LEU . 91.2 m -139.66 158.73 43.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.258 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.565 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.3 p -148.34 152.9 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.982 HG22 HG22 ' A' ' 77' ' ' VAL . 48.6 t -121.7 123.29 69.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.565 ' CE1' HG13 ' A' ' 49' ' ' VAL . 3.2 m-85 -101.9 140.28 36.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.757 ' HD2' HD21 ' A' ' 75' ' ' LEU . 8.2 mtm-85 -103.63 130.51 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.463 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -80.49 101.48 9.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.506 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 1.7 mp -118.51 96.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' CB ' ' O ' ' A' ' 54' ' ' ILE . 0.0 OUTLIER 84.13 -51.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.04 40.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.7 mmt-85 -146.49 142.48 28.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 0.779 . . . . 0.0 110.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.56 108.6 5.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.476 HG21 HD13 ' A' ' 54' ' ' ILE . 1.2 m -102.3 97.61 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.9 t -43.54 134.34 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.636 HG22 ' HB ' ' A' ' 50' ' ' VAL . 1.3 t -110.62 154.76 23.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.808 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -91.96 143.01 26.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.424 ' CH2' HG23 ' A' ' 50' ' ' VAL . 89.0 m95 -69.35 -19.4 63.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -80.0 -39.88 29.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.808 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 4.1 m -38.8 156.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 110.364 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 29' ' ' SER . . . -86.48 163.13 17.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.67 ' HA ' HD23 ' A' ' 70' ' ' LEU . 8.2 tp -95.74 -6.12 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.808 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -66.26 -52.83 35.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.808 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.96 58.55 4.9 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.513 1.796 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.713 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.4 mm? -139.78 -44.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.808 ' HB2' HG11 ' A' ' 24' ' ' VAL . 26.8 t70 -32.07 116.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.13 51.65 3.11 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -156.98 -166.07 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 11.0 mt-10 -150.1 114.83 5.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.757 HD21 ' HD2' ' A' ' 52' ' ' ARG . 20.7 mt -99.06 136.62 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 83.8 mt -114.86 109.38 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.982 HG22 HG22 ' A' ' 50' ' ' VAL . 95.4 t -91.69 111.6 24.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 25.5 mt-10 -127.54 149.85 49.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 47' ' ' CYS . 99.5 t -77.6 139.82 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -70.49 110.79 5.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.56 155.22 34.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.27 172.43 45.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 110.27 3.09 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.11 126.11 37.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.3 p -97.16 -58.48 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m 61.98 108.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.76 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -135.07 158.86 43.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.45 -76.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -102.42 157.5 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 0.773 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -119.43 158.54 25.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.55 178.74 25.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.12 61.23 0.65 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.556 ' HB ' HG12 ' A' ' 21' ' ' VAL . 12.0 p -152.47 178.2 9.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.42 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.615 HG23 HG22 ' A' ' 24' ' ' VAL . 39.7 t -141.57 151.89 19.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -91.4 125.18 36.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.646 HG11 HD11 ' A' ' 34' ' ' LEU . 65.1 t -113.14 106.76 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -77.88 115.89 17.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.453 HD13 ' HE ' ' A' ' 41' ' ' ARG . 9.0 mt -86.11 164.57 38.23 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -5.36 16.69 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.505 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -92.05 34.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.505 ' CG ' ' O ' ' A' ' 16' ' ' ASN . 11.1 pttt 49.03 23.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.13 178.0 4.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.51 151.24 41.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.5 t -138.24 129.74 27.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.556 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.8 t -83.8 126.61 40.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 23' ' ' THR . 57.3 t -116.93 162.33 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.248 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.439 ' N ' HG12 ' A' ' 22' ' ' VAL . 33.1 m -89.05 141.47 28.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.615 HG22 HG23 ' A' ' 10' ' ' VAL . 2.2 t -90.48 109.91 21.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.465 ' O ' ' N ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -119.13 98.98 6.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.86 82.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 25' ' ' ARG . . . 170.61 -73.64 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.746 ' O ' HG22 ' A' ' 67' ' ' ILE . 17.7 ptm -46.29 153.21 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 0.745 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -80.01 175.58 10.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.1 t -74.84 -41.85 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 35' ' ' ASP . 18.6 t80 -53.79 -55.64 24.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.67 -27.6 66.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.68 -54.73 6.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.646 HD11 HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -83.59 11.83 6.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.0 OUTLIER -69.85 -54.15 14.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.589 ' O ' HG12 ' A' ' 40' ' ' VAL . 15.7 mmmt -71.17 -48.12 53.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.545 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -42.37 -33.39 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.045 HD21 HG11 ' A' ' 77' ' ' VAL . 53.1 mt -90.0 -59.53 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -43.11 -48.23 6.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.7 p -40.54 -33.5 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.581 ' HG3' HG13 ' A' ' 40' ' ' VAL . 12.3 mtt-85 -103.98 -32.58 9.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.75 8.04 16.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.007 HD22 ' SG ' ' A' ' 48' ' ' CYS . 24.2 mt -66.38 148.53 51.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.92 155.27 18.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -89.25 39.9 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -140.78 -46.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 80' ' ' LEU . 5.4 m -93.18 22.35 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 108.334 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 1.007 ' SG ' HD22 ' A' ' 43' ' ' LEU . 57.9 m -141.13 144.39 34.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.55 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 3.6 p -127.33 157.63 38.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.668 ' HB ' HG22 ' A' ' 61' ' ' THR . 47.3 t -124.04 118.49 54.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.55 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 6.5 m-85 -98.88 139.85 33.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HG2' HD23 ' A' ' 75' ' ' LEU . 28.4 mtm-85 -98.5 136.69 38.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.29 102.43 12.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.4 mp -124.88 91.38 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.12 44.7 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 61.38 51.11 60.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -148.98 107.32 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -57.27 109.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.456 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.6 m -109.3 100.12 9.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.2 t -41.33 135.12 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.668 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -114.0 162.26 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.438 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.785 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -94.07 159.64 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.625 ' CH2' HG23 ' A' ' 50' ' ' VAL . 59.8 m95 -85.6 -34.76 21.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 107.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -90.89 48.31 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.785 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 88.6 m -119.09 163.62 16.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.433 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -89.93 143.59 26.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.746 HG22 ' O ' ' A' ' 28' ' ' MET . 0.6 OUTLIER -92.19 18.92 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.891 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -73.42 -57.76 2.59 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.891 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 51.03 2.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.831 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.7 mm? -130.02 -40.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' A' ' 70' ' ' LEU . 19.2 t0 -32.89 113.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.8 63.16 1.7 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.497 ' OE2' HD12 ' A' ' 75' ' ' LEU . 1.1 pp20? -166.74 -169.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.423 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.1 mt-10 -150.56 127.2 10.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.709 HD11 HD12 ' A' ' 70' ' ' LEU . 1.2 mt -109.14 148.62 30.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 95.2 mt -116.37 113.71 43.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.045 HG11 HD21 ' A' ' 38' ' ' LEU . 86.4 t -93.58 103.84 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -104.9 160.15 15.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.251 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.2 p -110.64 120.85 62.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 47' ' ' CYS . 70.5 mt -59.68 103.14 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.28 158.62 21.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.055 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.43 151.53 45.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.68 22.03 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.55 122.2 6.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 69.4 m -82.06 122.58 28.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.06 104.36 0.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.737 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.63 101.01 9.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.96 -162.23 14.44 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.96 113.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 110.001 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.58 120.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.54 -125.33 5.55 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 9' ' ' THR . . . -159.71 62.87 0.3 Allowed Glycine 0 CA--C 1.531 1.063 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.659 ' HB ' HG12 ' A' ' 21' ' ' VAL . 6.9 p -156.56 169.62 24.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 0.796 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.817 HG23 HG22 ' A' ' 24' ' ' VAL . 85.3 t -134.3 145.2 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 74' ' ' GLU . 23.0 mttt -93.23 132.4 37.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.636 HG11 HD11 ' A' ' 34' ' ' LEU . 66.5 t -120.17 133.36 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -99.04 115.43 28.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -76.67 163.85 63.16 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.579 1.175 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 87.12 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' O ' ' CB ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER 165.0 -57.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER 165.65 -29.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -63.66 163.45 11.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.265 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.55 157.31 44.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.8 t -135.56 143.43 45.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.659 HG12 ' HB ' ' A' ' 9' ' ' THR . 1.8 t -97.1 126.38 49.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.61 158.26 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.3 m -89.81 135.4 33.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.363 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.817 HG22 HG23 ' A' ' 10' ' ' VAL . 2.0 t -82.7 109.82 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 16.1 mtp85 -115.01 169.25 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -123.76 81.94 1.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.35 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.35 -60.56 0.25 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.448 1.093 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.606 ' CG ' HG21 ' A' ' 67' ' ' ILE . 17.9 ptm -55.93 162.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 86.0 p -98.24 177.71 5.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.502 HG13 HD23 ' A' ' 34' ' ' LEU . 69.3 t -70.36 -33.97 56.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.467 ' O ' ' N ' ' A' ' 35' ' ' ASP . 13.3 t80 -61.72 -57.59 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.1 -19.64 61.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.531 ' CB ' HD13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -84.24 -61.89 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.727 HD12 HG21 ' A' ' 77' ' ' VAL . 4.0 mm? -70.76 -7.02 41.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.3 t70 -48.92 -57.87 5.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.677 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -59.71 -56.99 14.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.528 ' C ' HG12 ' A' ' 40' ' ' VAL . . . -38.75 -33.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.087 HD21 HG11 ' A' ' 77' ' ' VAL . 73.3 mt -90.23 -62.14 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' LEU . 7.5 mttp -39.6 -50.63 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.6 p -39.47 -45.51 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' LEU . 24.2 mtp180 -90.97 -31.13 16.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.59 10.49 23.24 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.82 HD22 ' SG ' ' A' ' 48' ' ' CYS . 19.5 mt -64.97 169.08 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.793 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.474 ' ND2' ' H ' ' A' ' 45' ' ' GLN . 5.3 t30 -117.13 173.06 6.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.474 ' H ' ' ND2' ' A' ' 44' ' ' ASN . 13.9 mp0 -107.7 41.87 1.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.23 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -140.89 -51.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.8 m -94.65 28.01 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 108.296 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.82 ' SG ' HD22 ' A' ' 43' ' ' LEU . 64.2 m -141.22 143.01 33.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.316 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.563 HG13 ' CE1' ' A' ' 51' ' ' TYR . 7.2 p -125.76 159.7 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.7 ' HB ' HG22 ' A' ' 61' ' ' THR . 56.2 t -126.55 120.12 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.563 ' CE1' HG13 ' A' ' 49' ' ' VAL . 5.9 m-85 -100.56 141.0 34.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.935 ' HA ' HD23 ' A' ' 75' ' ' LEU . 8.9 mtm180 -100.55 132.41 45.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.428 HD21 ' CD1' ' A' ' 76' ' ' ILE . 1.1 mm? -79.85 105.28 11.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.0 mp -126.95 95.32 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.01 37.57 11.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.32 46.66 62.7 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -144.94 110.41 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.786 . . . . 0.0 110.28 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' HE3' ' CD1' ' A' ' 76' ' ' ILE . 12.9 mptt -57.96 110.88 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.454 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.2 m -108.48 99.77 9.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' THR . 53.1 t -40.28 143.97 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.7 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -127.15 163.37 23.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.385 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.866 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -100.84 157.8 16.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.55 ' CH2' HG23 ' A' ' 50' ' ' VAL . 86.0 m95 -81.8 -35.84 29.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.59 -34.31 77.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.866 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 5.9 m -43.89 159.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.77 172.15 8.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.606 HG21 ' CG ' ' A' ' 28' ' ' MET . 1.2 tp -110.52 5.92 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.665 ' N ' ' CD ' ' A' ' 69' ' ' PRO . . . -78.06 -42.25 2.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.873 ' C ' HD22 ' A' ' 70' ' ' LEU . 18.3 Cg_endo -75.0 52.48 3.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.434 1.754 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.873 HD22 ' C ' ' A' ' 69' ' ' PRO . 4.0 mm? -136.23 -59.71 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.708 ' HA ' HG11 ' A' ' 24' ' ' VAL . 5.9 t70 58.0 -89.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -124.44 111.8 1.66 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.609 ' O ' HG13 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -174.07 -166.11 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 110.302 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 11' ' ' LYS . 2.2 mt-10 -145.84 140.92 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.275 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.935 HD23 ' HA ' ' A' ' 52' ' ' ARG . 7.1 mt -124.11 156.15 37.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.443 ' CD1' ' HE3' ' A' ' 58' ' ' LYS . 71.6 mt -119.14 116.74 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.087 HG11 HD21 ' A' ' 38' ' ' LEU . 88.6 t -93.2 103.7 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.428 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -102.41 159.27 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.3 p -114.15 117.15 54.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.4 mt -55.84 -65.97 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 46.88 80.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.52 -87.92 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.46 1.1 . . . . 0.0 110.984 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.1 17.03 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 167.66 -72.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.1 t -138.04 134.94 35.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.967 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -159.74 167.37 28.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.99 128.86 34.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.83 111.94 3.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m 47.8 95.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.742 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -48.63 140.96 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.52 -65.31 3.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.427 ' O ' HG23 ' A' ' 9' ' ' THR . . . 170.25 63.62 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.7 ' HB ' HG12 ' A' ' 21' ' ' VAL . 8.0 p -152.89 172.89 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 110.427 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.917 HG23 HG22 ' A' ' 24' ' ' VAL . 90.1 t -138.57 141.92 36.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -88.0 131.04 34.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.507 HG11 ' CD1' ' A' ' 34' ' ' LEU . 73.2 t -116.92 116.25 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -89.2 111.28 22.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.749 HD13 ' HD2' ' A' ' 41' ' ' ARG . 11.8 mt -83.58 162.78 52.15 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -2.71 12.9 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.449 1.763 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.514 ' ND2' HH21 ' A' ' 41' ' ' ARG . 1.3 t30 -94.91 38.67 1.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? 44.83 27.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -122.02 169.57 10.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.32 149.94 40.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.8 t -141.52 133.81 28.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.7 HG12 ' HB ' ' A' ' 9' ' ' THR . 2.7 t -90.13 129.83 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.9 t -120.99 153.66 24.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 m -75.85 144.29 41.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.424 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.917 HG22 HG23 ' A' ' 10' ' ' VAL . 2.2 t -90.88 109.83 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.226 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.631 ' O ' HG23 ' A' ' 67' ' ' ILE . 0.7 OUTLIER -113.62 133.27 55.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -98.1 49.7 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.11 38.8 0.29 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.909 ' O ' HG22 ' A' ' 67' ' ' ILE . 17.3 ptm -167.81 148.97 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 0.788 . . . . 0.0 110.998 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.1 m -73.54 -171.92 1.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 110.007 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.585 HG13 HD23 ' A' ' 34' ' ' LEU . 72.4 t -87.52 -33.9 7.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 35' ' ' ASP . 57.0 t80 -56.93 -59.69 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.33 -25.15 61.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.45 -62.42 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.585 HD23 HG13 ' A' ' 30' ' ' VAL . 3.2 mm? -67.37 -10.78 54.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.9 t70 -48.52 -59.37 3.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.554 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -63.24 -54.66 33.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.506 ' O ' HG12 ' A' ' 40' ' ' VAL . . . -39.66 -36.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.04 HD21 HG11 ' A' ' 77' ' ' VAL . 80.8 mt -90.14 -57.57 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -40.61 -50.77 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 36' ' ' LYS . 7.1 p -39.36 -42.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.749 ' HD2' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -94.45 -31.55 13.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.87 6.88 22.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.659 HD22 ' SG ' ' A' ' 48' ' ' CYS . 25.3 mt -67.46 140.03 57.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.74 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -100.06 160.34 14.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -94.72 39.59 1.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.35 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.05 -45.02 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.6 t -109.68 35.71 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 108.246 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.659 ' SG ' HD22 ' A' ' 43' ' ' LEU . 23.5 m -140.92 144.28 35.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 108.275 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.524 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 2.5 p -129.93 150.04 34.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.628 ' HB ' HG22 ' A' ' 61' ' ' THR . 39.8 t -117.31 129.25 74.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.524 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 4.4 m-85 -107.98 140.83 40.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.674 ' HD2' HD21 ' A' ' 75' ' ' LEU . 9.8 mtm-85 -99.6 146.76 26.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.13 102.46 15.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.489 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -125.33 93.39 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.08 42.34 12.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.81 52.01 46.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -149.28 110.3 4.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 0.754 . . . . 0.0 110.29 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 103.25 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.437 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 2.0 m -103.7 101.71 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 54.2 t -39.45 157.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.628 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -139.23 158.9 43.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.411 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.739 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -87.56 162.21 17.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -88.98 -24.98 22.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -93.43 34.15 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.739 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 15.5 m -104.46 160.26 15.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.68 152.36 23.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.909 HG22 ' O ' ' A' ' 28' ' ' MET . 1.0 OUTLIER -101.04 19.87 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.879 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -79.02 -57.23 0.78 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.879 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 54.47 3.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.794 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.5 mm? -136.33 -43.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 70' ' ' LEU . 24.9 t0 -31.77 106.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.6 57.89 1.09 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' CD ' ' N ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -164.77 -165.55 0.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 110.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 3.4 mt-10 -154.3 124.51 6.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.674 HD21 ' HD2' ' A' ' 52' ' ' ARG . 19.9 mt -104.75 150.01 25.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.8 mt -118.46 116.35 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.04 HG11 HD21 ' A' ' 38' ' ' LEU . 98.3 t -93.94 127.78 45.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.493 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -136.74 169.45 17.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 110.316 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.6 HG22 ' SG ' ' A' ' 48' ' ' CYS . 42.1 t -102.09 134.81 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.1 mt -67.15 158.12 32.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.8 m 58.61 83.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -111.8 -163.85 17.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 110.18 3.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.542 1.811 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.69 149.07 32.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 m -65.12 129.22 38.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.12 112.9 18.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.994 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 p -162.75 167.09 23.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.04 101.91 2.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.01 162.91 40.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.53 77.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.31 -77.72 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.54 55.15 4.99 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.636 ' HB ' HG12 ' A' ' 21' ' ' VAL . 3.3 p -148.43 171.16 16.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.3 t -139.39 145.2 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.6 132.02 37.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.95 HG11 HD11 ' A' ' 34' ' ' LEU . 89.0 t -120.63 115.03 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -81.38 118.53 22.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD13 ' HD2' ' A' ' 41' ' ' ARG . 11.5 mt -88.22 161.55 42.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 55.98 4.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.461 1.769 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -160.78 30.31 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt 57.07 17.53 3.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.05 170.44 8.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.242 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -145.9 154.36 41.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.409 HG22 ' HB ' ' A' ' 12' ' ' VAL . 4.7 t -138.17 134.18 34.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.636 HG12 ' HB ' ' A' ' 9' ' ' THR . 3.4 t -88.0 132.46 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.1 t -125.79 151.47 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.9 m -80.9 143.41 32.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' A' ' 71' ' ' ASP . 1.2 t -87.44 109.76 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB2' ' SD ' ' A' ' 28' ' ' MET . 0.5 OUTLIER -111.78 128.38 56.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -86.26 73.78 10.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -179.61 -67.29 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.595 ' CG ' HG21 ' A' ' 67' ' ' ILE . 13.2 ptm -54.49 169.68 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 0.76 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 66' ' ' ALA . 1.2 p -109.84 175.81 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.44 -41.47 92.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' ASP . 11.1 t80 -60.26 -54.59 43.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.24 -18.27 57.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.7 -59.2 2.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.958 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.95 HD11 HG11 ' A' ' 12' ' ' VAL . 4.0 mm? -74.51 -2.02 23.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 31' ' ' TYR . 4.6 t70 -53.36 -50.87 64.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.636 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -75.07 -54.29 7.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.506 ' CB ' HD13 ' A' ' 34' ' ' LEU . . . -38.31 -33.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.895 HD21 HG11 ' A' ' 77' ' ' VAL . 21.6 mt -87.9 -63.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 42' ' ' GLY . 10.4 mttp -43.22 -53.27 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.636 HG12 ' O ' ' A' ' 36' ' ' LYS . 12.7 p -41.05 -42.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.429 ' HD2' HD13 ' A' ' 14' ' ' LEU . 22.7 mtp85 -87.98 -27.26 22.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 104.53 12.61 28.2 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.811 HD22 ' SG ' ' A' ' 48' ' ' CYS . 34.4 mt -73.79 171.5 13.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -122.04 169.39 10.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -99.16 39.1 1.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -142.45 -47.08 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' LEU . 11.2 p -93.67 23.02 4.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.811 ' SG ' HD22 ' A' ' 43' ' ' LEU . 78.7 m -141.36 145.81 35.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.576 1.172 . . . . 0.0 108.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.602 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.1 p -135.69 156.4 37.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.892 HG22 HG22 ' A' ' 77' ' ' VAL . 57.7 t -120.8 125.04 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CE1' HG13 ' A' ' 49' ' ' VAL . 4.8 m-85 -104.47 137.29 42.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.526 ' HA ' HD23 ' A' ' 75' ' ' LEU . 4.3 mtm105 -95.53 143.71 26.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.41 99.44 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 52' ' ' ARG . 2.1 mp -119.98 93.67 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.352 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.7 34.55 12.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.98 49.11 23.68 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -146.12 110.73 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.25 108.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.445 ' HB ' ' CD1' ' A' ' 54' ' ' ILE . 1.2 m -110.25 99.15 8.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.513 HG13 ' CG2' ' A' ' 49' ' ' VAL . 97.2 t -40.42 141.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.59 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -124.31 138.2 54.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.595 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -69.91 159.37 33.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -81.71 -30.84 32.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 107.991 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.46 -24.93 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.595 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 3.8 m -48.36 159.99 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.393 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 29' ' ' SER . . . -98.31 169.46 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.763 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.5 tp -110.57 6.08 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.786 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -77.04 -52.75 1.84 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.786 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.1 Cg_endo -75.07 57.82 4.74 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.762 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.763 HD23 ' HA ' ' A' ' 67' ' ' ILE . 3.3 mm? -136.9 -54.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' A' ' 72' ' ' GLY . 6.0 t0 50.87 -92.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . . . -114.75 121.32 5.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.57 -168.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 110.275 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -142.86 140.18 31.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.527 HD22 HG12 ' A' ' 50' ' ' VAL . 12.7 mt -125.77 140.11 52.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 94.9 mt -111.39 114.09 46.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.895 HG11 HD21 ' A' ' 38' ' ' LEU . 91.6 t -95.32 108.37 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -110.59 161.56 15.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.344 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 p -108.99 117.06 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 47' ' ' CYS . 46.5 mt -66.36 125.9 27.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.3 t -164.53 147.61 8.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.42 -161.75 5.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.05 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.72 107.63 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.7 p -102.9 140.77 36.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -67.99 114.67 6.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 0.728 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.96 153.6 18.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.45 -118.74 2.72 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.436 1.085 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -57.52 -58.81 6.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.83 158.28 25.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.016 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' N ' ' OD1' ' A' ' 71' ' ' ASP . . . -104.05 -105.17 2.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.635 ' O ' HG23 ' A' ' 9' ' ' THR . . . -155.64 -43.66 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 8' ' ' GLY . 2.5 p -157.97 167.99 28.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.425 HG23 HG22 ' A' ' 24' ' ' VAL . 24.9 t -140.02 149.01 22.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -91.55 129.59 37.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.248 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.5 HG11 ' CD1' ' A' ' 34' ' ' LEU . 71.7 t -116.32 112.65 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -84.17 116.42 22.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.451 HD21 ' O ' ' A' ' 37' ' ' ALA . 10.9 mt -88.68 159.15 47.01 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 70.36 5.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' GLN . 1.5 t-20 175.01 51.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER 38.73 30.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' ASN . 2.1 mt-30 -118.14 159.97 22.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.57 150.57 34.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 t -141.19 134.02 28.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.368 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.588 HG12 ' HB ' ' A' ' 9' ' ' THR . 2.2 t -86.48 133.43 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -124.89 160.2 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 m -77.4 156.58 31.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' A' ' 71' ' ' ASP . 8.9 t -97.64 109.64 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.555 ' O ' HG23 ' A' ' 67' ' ' ILE . 1.0 OUTLIER -108.33 149.33 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -121.03 79.68 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 167.03 -63.9 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.572 ' O ' HG22 ' A' ' 67' ' ' ILE . 12.9 ptm -54.51 162.42 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -85.7 177.79 7.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.49 HG13 HD23 ' A' ' 34' ' ' LEU . 73.8 t -77.05 -32.9 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.469 ' O ' ' N ' ' A' ' 35' ' ' ASP . 13.1 t80 -59.55 -56.56 20.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.52 -24.54 66.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.503 ' CB ' HD13 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -78.08 -60.31 2.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.997 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.688 HD12 HG21 ' A' ' 77' ' ' VAL . 4.0 mm? -74.14 -3.05 27.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 31' ' ' TYR . 5.9 t0 -52.03 -53.08 46.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' O ' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -65.82 -56.56 11.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' O ' HD21 ' A' ' 14' ' ' LEU . . . -38.3 -32.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.036 HD21 HG11 ' A' ' 77' ' ' VAL . 52.9 mt -89.58 -62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' GLY . 15.0 mttt -39.56 -53.55 2.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 36' ' ' LYS . 14.7 p -39.0 -45.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' LEU . 22.3 mtp85 -88.92 -27.54 20.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' LYS . . . 103.68 10.58 35.03 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.694 HD22 ' SG ' ' A' ' 48' ' ' CYS . 24.8 mt -65.05 177.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -130.7 157.81 41.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 35' ' ' ASP . 9.9 mp0 -92.37 40.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -138.26 -50.09 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.6 m -98.01 30.96 2.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.694 ' SG ' HD22 ' A' ' 43' ' ' LEU . 81.3 m -140.99 151.87 44.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 108.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.61 HG13 ' CE1' ' A' ' 51' ' ' TYR . 3.3 p -136.64 155.04 33.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.51 ' HB ' HG22 ' A' ' 61' ' ' THR . 26.0 t -121.82 129.76 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.61 ' CE1' HG13 ' A' ' 49' ' ' VAL . 2.7 m-85 -109.14 143.1 38.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG2' HD23 ' A' ' 75' ' ' LEU . 37.4 mtm180 -115.15 141.4 48.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.336 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.593 HD21 ' HD2' ' A' ' 58' ' ' LYS . 0.5 OUTLIER -90.54 96.47 10.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.691 HD13 HG21 ' A' ' 59' ' ' THR . 1.5 mp -98.55 -72.62 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -107.81 37.86 2.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.63 33.04 58.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.2 144.33 34.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 110.299 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.593 ' HD2' HD21 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.23 97.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.691 HG21 HD13 ' A' ' 54' ' ' ILE . 29.3 m -97.45 97.7 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.386 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.9 t -44.16 156.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.51 HG22 ' HB ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -138.33 155.87 48.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.676 ' HB3' ' OG1' ' A' ' 65' ' ' THR . . . -83.75 162.49 20.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.499 ' CH2' HG23 ' A' ' 50' ' ' VAL . 94.3 m95 -88.68 -44.05 10.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -60.28 -25.5 65.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.676 ' OG1' ' HB3' ' A' ' 62' ' ' ALA . 18.9 m -48.8 170.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.39 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.502 ' N ' HG22 ' A' ' 65' ' ' THR . . . -97.67 169.68 9.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.605 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.1 tp -106.83 7.75 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.879 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -71.99 -55.6 5.12 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.879 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -74.95 57.02 4.4 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.534 1.808 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.774 HD22 ' C ' ' A' ' 69' ' ' PRO . 3.5 mm? -140.79 -44.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.8 t0 -29.08 120.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.46 58.27 2.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.548 ' OE2' HD12 ' A' ' 75' ' ' LEU . 2.2 pp20? -162.14 -169.25 2.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 73' ' ' GLU . 11.2 mt-10 -147.42 113.94 5.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.573 HD23 ' HG2' ' A' ' 52' ' ' ARG . 1.5 mt -95.18 139.4 31.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 76.6 mt -114.82 113.33 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.036 HG11 HD21 ' A' ' 38' ' ' LEU . 69.6 t -91.39 130.97 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -141.35 172.0 13.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.0 t -100.61 132.17 46.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.505 HD21 ' HB ' ' A' ' 49' ' ' VAL . 8.9 mt -74.19 -64.2 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.77 108.6 16.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.91 -84.93 0.19 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 119.17 5.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.4 t -48.96 137.09 13.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.011 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.4 p -78.56 -58.53 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.979 . . . . . . . . 0 0 . 1 stop_ save_