data_1ywy_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 1ywy _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 ' 23' ' ' MET . . . . . 0.526 ' SD ' ' CE1' ' A' ' 71' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.535 0.207 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.07 131.63 44.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.467 ' CD1' ' HG ' ' A' ' 80' ' ' LEU . 1.4 pp -73.66 143.05 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -119.75 162.14 19.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.7 mm -141.36 149.49 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLY . 4.1 t0 -130.14 89.71 2.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 p -72.98 -26.21 61.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -50.8 71.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -99.08 -20.23 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 87.17 18.98 56.68 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.464 1.103 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 3.7 t -102.73 163.34 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.6 p -127.44 142.51 51.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 108.361 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 18.4 t -148.79 128.1 12.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 p -99.03 151.16 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -107.36 131.75 53.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' GLU . 6.2 mt -148.02 86.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' ILE . 7.3 pt-20 37.48 37.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.78 61.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 t -39.46 124.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 110.018 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -155.6 48.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -122.91 175.35 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.599 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.77 123.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.01 166.65 2.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.57 28.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 t -60.95 -23.36 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -78.38 0.15 26.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.14 34.23 5.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 65' ' ' ILE . 76.4 mt -107.1 163.54 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.44 136.73 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.5 mt -102.21 140.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.58 179.1 18.1 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.542 1.152 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.502 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 63.7 m -124.66 143.03 50.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.74 102.76 10.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.91 -10.65 54.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -39.8 92.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.21 13.48 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 52.11 49.67 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.14 163.87 28.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.6 p -85.06 145.26 27.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 m -121.2 171.34 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -124.47 145.16 49.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.477 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 3.8 m-85 -116.88 116.58 27.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 4.5 tp -127.85 108.24 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 9.7 t0 81.99 -4.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.5 15.58 12.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.45 ' CG ' HG21 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -93.17 170.28 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 115.63 15.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.28 171.22 14.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.526 ' CE1' ' SD ' ' A' ' 23' ' ' MET . 12.2 p80 -103.19 115.48 30.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.615 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.471 HD12 ' CB ' ' A' ' 77' ' ' ALA . 1.3 pt -110.82 171.24 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.98 152.79 39.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.64 -57.21 13.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.15 -38.71 80.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.53 -27.95 68.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' CB ' HD12 ' A' ' 72' ' ' ILE . . . -75.14 -28.1 60.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -43.29 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -66.1 -30.58 71.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 3.7 mt -56.85 -45.58 82.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.8 t -69.35 -48.11 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.9 t -52.32 -37.03 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.04 -23.33 67.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.33 2.78 7.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -67.28 155.95 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.406 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -67.58 144.4 55.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -116.41 110.38 18.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.406 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 38.2 mm-40 -122.54 -10.74 8.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.502 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.532 0.206 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.7 m -100.2 106.37 18.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 76' ' ' ASP . 2.9 pp -53.05 142.24 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -109.66 164.21 12.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.05 139.33 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.4 89.62 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -73.24 -39.92 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.19 -51.02 35.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -90.2 -27.1 19.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.58 23.99 34.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 13.7 t -111.81 161.78 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.455 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.6 p -127.19 142.81 51.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 108.295 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 26.8 t -148.97 135.19 19.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.6 t -98.8 158.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HA ' ' CB ' ' A' ' 41' ' ' SER . 5.4 mt-10 -112.32 133.79 54.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -162.2 86.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ILE . 11.3 pt-20 35.9 53.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' SER . . . 157.39 -39.12 0.55 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' GLY . 51.6 p 36.39 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.64 49.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.35 179.03 4.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.66 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -178.53 121.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -171.59 167.74 3.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 141.95 27.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.458 ' CG1' HD12 ' A' ' 50' ' ' LEU . 78.2 t -75.38 -27.27 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -74.63 -3.51 31.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.7 t -118.65 41.53 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.473 HD13 ' CD2' ' A' ' 80' ' ' LEU . 33.6 mt -103.78 167.84 9.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.32 131.01 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 3.3 mt -109.42 145.06 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.22 178.8 23.68 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.44 ' OG1' ' NE ' ' A' ' 89' ' ' ARG . 89.3 m -118.91 137.44 53.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.499 ' OD2' ' CZ ' ' A' ' 69' ' ' ARG . 0.5 OUTLIER -101.93 99.16 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.43 -14.25 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.88 -41.13 86.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.28 9.72 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.3 OUTLIER 55.38 51.48 12.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -131.22 162.74 29.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -82.8 136.84 34.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.8 m -120.9 164.35 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.458 ' CD1' ' C ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -123.03 143.16 50.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 68' ' ' LYS . 17.9 m-85 -118.72 126.53 52.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.445 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 12.1 tt -147.28 112.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 0.8 OUTLIER 77.72 10.99 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.5 41.75 5.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -116.1 171.78 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.499 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 0.3 OUTLIER -143.61 111.72 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.74 171.51 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -102.95 122.22 44.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.593 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.446 ' CG2' HG22 ' A' ' 25' ' ' ILE . 3.3 pt -119.12 163.74 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.04 149.78 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 75' ' ' GLU . 0.2 OUTLIER -66.85 -38.48 86.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 74' ' ' GLU . 4.2 tp10 -71.4 -37.72 71.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.471 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -70.86 -32.45 69.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.465 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -65.41 -32.61 74.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.29 -43.22 33.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -66.17 -31.02 71.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 50' ' ' LEU . 1.1 mt -62.61 -48.33 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 84' ' ' GLY . 2.7 t -61.94 -51.6 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.3 t -51.36 -35.42 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.92 -25.27 68.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 135.39 -6.85 4.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB3' ' CB ' ' A' ' 50' ' ' LEU . . . -62.03 152.72 31.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.418 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.9 OUTLIER -68.42 154.82 41.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -125.84 107.13 10.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.418 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 36.6 mm-40 -121.92 -10.22 8.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.44 ' NE ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 3.0 mpp? . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.467 0.175 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.6 p -59.09 114.11 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.472 HG23 ' CG2' ' A' ' 72' ' ' ILE . 2.7 pp -59.16 143.15 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -124.18 164.19 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.418 HD11 ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -135.6 142.2 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -130.06 88.88 2.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.4 t -73.22 -43.72 60.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -38.9 26.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -97.95 -27.49 14.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 82.64 37.9 13.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 2.6 t -135.43 164.27 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.511 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 5.0 p -118.27 143.47 46.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 108.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 13.4 m -148.75 122.85 9.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.507 HG13 ' CD2' ' A' ' 43' ' ' HIS . 7.2 p -97.24 154.61 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.461 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -80.86 142.98 33.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.461 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 1.8 mt -151.61 169.72 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.22 -29.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 41' ' ' SER . . . -146.97 25.43 1.61 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.433 1.083 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 40' ' ' GLY . 34.5 p 35.81 89.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.969 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -132.04 59.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.507 ' CD2' HG13 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -130.9 173.0 11.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.552 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 165.56 131.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -175.2 171.44 1.25 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.426 ' HG2' ' CB ' ' A' ' 49' ' ' SER . 18.3 Cg_endo -75.04 131.69 14.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.802 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' A' ' 34' ' ' CYS . 25.0 t -70.21 -27.54 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -75.94 -2.37 30.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.426 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 1.6 t -121.7 45.27 2.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 80' ' ' LEU . 83.1 mt -106.99 167.84 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.5 137.37 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.462 ' CD1' HG22 ' A' ' 81' ' ' VAL . 3.6 mt -111.04 141.52 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.37 173.7 21.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.2 m -120.91 134.87 55.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -96.57 98.05 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.66 -12.49 46.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.14 -39.13 91.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.19 9.61 4.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' ASP . 3.6 ttt-85 54.62 51.86 13.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.4 mt -130.19 161.05 32.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -82.92 144.41 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -131.08 168.1 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.408 ' CD2' ' N ' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -122.7 142.23 50.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.408 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 2.5 m-85 -118.82 126.38 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 11.1 tt -148.67 115.14 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 4.4 t70 75.18 19.72 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.56 36.85 28.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.4 171.83 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.0 109.07 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.15 171.34 14.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -100.86 112.73 25.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.472 ' CG2' HG23 ' A' ' 25' ' ' ILE . 2.9 pt -112.53 165.33 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.79 146.8 40.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -57.36 8.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -53.06 -43.03 66.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.456 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -66.32 -42.54 88.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.163 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.455 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -57.25 -33.59 67.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -38.68 51.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.04 -31.79 71.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -60.93 -50.07 74.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.474 ' CG2' ' OD2' ' A' ' 87' ' ' ASP . 2.5 t -59.44 -53.15 52.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.9 t -51.27 -35.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.414 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -64.12 -26.8 68.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 140.87 -11.27 2.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB2' ' CB ' ' A' ' 50' ' ' LEU . . . -60.08 150.93 27.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.416 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -65.64 155.19 36.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.474 ' OD2' ' CG2' ' A' ' 81' ' ' VAL . 2.5 t70 -129.25 112.87 14.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.416 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 29.4 mm-40 -123.58 -10.58 7.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.0 mtm . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.461 0.172 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 m -88.16 127.09 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.479 HG21 ' CG2' ' A' ' 36' ' ' VAL . 2.3 pp -86.61 134.21 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -107.54 164.35 12.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -130.9 136.55 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' VAL . 5.4 t0 -124.33 89.05 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -72.99 -24.96 60.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -51.03 65.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.39 -23.57 13.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 90.33 44.08 4.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' ASP . 53.8 t -136.83 159.29 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 0.727 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 p -116.9 143.1 46.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.308 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -139.36 114.49 9.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 25' ' ' ILE . 7.2 p -96.84 152.8 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' N ' HG23 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -101.65 148.23 25.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -160.47 169.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -41.05 -28.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -141.72 71.38 0.41 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 83.2 p -39.44 143.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 110.006 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.6 OUTLIER 162.93 44.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 167.14 12.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.612 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 171.87 132.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.28 159.51 10.51 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 125.74 9.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.7 t -57.88 -26.35 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -76.09 -1.92 28.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -125.15 33.26 5.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 80' ' ' LEU . 61.2 mt -101.45 176.89 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.41 ' HA ' ' CB ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -161.86 129.85 4.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 mt -106.83 138.37 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.44 179.11 17.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.3 m -122.23 133.63 54.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 110.394 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.456 ' HB3' ' CD2' ' A' ' 60' ' ' LEU . 17.3 t70 -105.62 96.38 6.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.83 -12.71 38.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.89 -40.03 83.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.25 14.02 4.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.66 50.12 19.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.32 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -132.77 163.17 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.409 ' OG ' ' NE ' ' A' ' 89' ' ' ARG . 5.9 m -88.78 139.67 30.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.4 m -120.04 156.08 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.481 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -115.54 143.85 44.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.426 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 10.0 m-85 -119.01 128.95 54.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 8.2 tt -146.58 106.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 4.9 t0 81.58 18.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.86 40.03 12.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 170.97 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.72 111.24 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.14 171.46 14.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -97.4 114.07 25.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 pt -110.42 164.14 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.84 145.56 54.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -56.52 18.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.53 -42.73 67.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.474 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -63.21 -45.32 92.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.24 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -77.12 -38.05 52.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -63.6 -34.16 77.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 25' ' ' ILE . 75.0 mt -62.27 -49.5 75.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 t -54.49 -56.77 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.5 t -54.45 -36.7 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.82 -32.96 74.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.23 42.35 0.22 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.86 157.04 18.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.1 tp10 -63.8 152.77 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -132.42 107.01 8.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 16.6 mm-40 -120.85 -11.88 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' NE ' ' OG ' ' A' ' 61' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.43 ' HG2' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.513 0.197 . . . . 0.0 111.011 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.7 p -118.76 97.87 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.468 HD13 ' CD1' ' A' ' 80' ' ' LEU . 2.6 pp -53.03 130.33 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.63 164.67 12.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.98 156.76 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.6 t70 -130.84 90.07 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 p -72.32 -8.77 56.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.19 -50.42 19.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -101.42 -23.04 14.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.47 22.29 27.07 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' ASP . 39.7 t -112.1 160.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.412 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.8 p -118.74 143.22 47.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.312 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 p -137.89 121.43 17.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.464 ' CG2' HG22 ' A' ' 25' ' ' ILE . 8.7 p -97.44 150.99 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.56 133.38 55.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -149.82 86.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' ILE . 16.5 pt-20 37.81 31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 154.56 62.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 p -39.29 125.56 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 109.949 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -166.21 48.36 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -132.18 173.17 11.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 175.0 129.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.4 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -158.92 165.72 17.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 128.08 11.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.63 -27.51 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -73.63 -4.3 33.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 t -116.72 34.37 5.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.451 HD13 ' CD2' ' A' ' 80' ' ' LEU . 80.2 mt -105.89 169.43 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.81 128.81 3.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.63 143.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.08 174.96 26.69 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.498 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 84.8 m -119.42 136.92 54.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -107.04 106.24 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -10.51 51.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.78 -40.71 89.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.48 13.81 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 49.61 50.04 18.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.26 164.05 27.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.56 ' HG ' ' NE ' ' A' ' 89' ' ' ARG . 3.6 m -88.15 142.11 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.7 m -126.36 162.51 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.443 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -121.83 143.02 49.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.425 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 81.7 m-85 -119.26 122.74 42.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.2 tt -151.14 127.93 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.95 43.69 17.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 53.21 48.61 58.8 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HD3' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -122.67 171.67 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -148.31 112.12 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.45 171.27 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.21 112.44 25.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.471 HD13 ' CB ' ' A' ' 77' ' ' ALA . 1.3 pt -103.13 171.12 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.1 163.02 28.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -57.09 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -58.08 -38.77 77.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.38 -37.29 86.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' CB ' HD13 ' A' ' 72' ' ' ILE . . . -70.32 -27.33 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -77.16 -34.77 56.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -67.75 -30.57 70.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 25' ' ' ILE . 44.8 mt -60.48 -47.3 86.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.7 t -65.17 -50.94 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.83 -37.45 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.36 -33.11 75.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.26 43.24 0.22 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -110.28 156.59 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.72 149.88 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -127.53 106.56 9.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -121.36 -11.36 8.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.56 ' NE ' ' HG ' ' A' ' 61' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.481 0.181 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.92 107.29 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.528 ' CG2' ' CG2' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -63.09 139.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.89 161.3 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 mm -135.13 131.74 52.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 6.3 t0 -121.32 89.75 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -34.94 65.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -48.89 -51.14 31.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -96.98 -27.14 14.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 91.3 26.37 21.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 34.8 t -117.6 159.24 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.421 ' N ' HG11 ' A' ' 33' ' ' VAL . 1.7 p -124.75 143.0 51.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 108.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.9 p -142.46 116.69 9.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 37' ' ' GLU . 11.6 p -97.25 148.61 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.43 ' N ' HG21 ' A' ' 36' ' ' VAL . 3.2 pt-20 -111.87 131.36 55.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.425 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 3.7 mt -149.98 86.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 38' ' ' ILE . 1.9 mm-40 79.4 24.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.66 40.52 5.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -99.65 98.0 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -81.37 54.52 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -176.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.544 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.26 124.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.403 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -157.18 160.01 30.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.29 20.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.36 -24.57 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -73.54 -5.25 38.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.7 t -120.28 42.64 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.443 HD13 ' CD2' ' A' ' 80' ' ' LEU . 87.0 mt -107.72 169.84 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.62 134.14 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 mt -107.05 142.85 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.07 178.94 19.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.5 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 42.0 m -126.94 139.02 53.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ARG . 3.4 t0 -102.74 100.13 10.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.8 -13.4 55.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -40.87 91.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.37 10.59 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 54.7 50.9 14.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.4 mt -129.94 162.84 27.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.6 p -80.27 145.04 32.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.48 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 1.4 m -127.3 169.21 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -117.32 137.11 52.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.482 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 2.7 m-85 -120.0 115.73 24.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.4 tt -137.01 100.52 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.17 73.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.24 57.86 7.71 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -129.87 159.07 37.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -151.89 105.47 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER -143.97 171.36 14.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -104.28 127.13 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.528 ' CG2' ' CG2' ' A' ' 25' ' ' ILE . 1.4 pt -118.23 171.22 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.38 145.76 54.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 9.2 pt-20 -59.57 -45.0 93.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 1.8 tp10 -68.93 -36.76 78.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.58 -27.02 62.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.476 ' CA ' HD13 ' A' ' 72' ' ' ILE . . . -74.72 -28.76 60.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.08 -42.98 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -59.29 -35.43 73.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 37.0 mt -54.77 -45.74 74.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.76 -48.82 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.35 -37.06 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.19 -23.4 66.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.97 15.79 6.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -77.02 155.26 32.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.428 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.1 tp10 -62.12 144.3 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -121.67 116.31 24.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.428 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 47.7 mm-40 -123.84 -10.45 7.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.5 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 2.6 mmm180 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.548 0.213 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.6 p -98.51 107.09 19.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.467 ' CG1' ' HB3' ' A' ' 76' ' ' ASP . 2.7 pp -60.32 142.68 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -105.5 164.9 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -138.97 132.87 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 32' ' ' GLY . 1.2 t70 -123.35 88.61 2.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.88 -29.95 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -49.6 -51.3 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -103.08 -26.79 12.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 96.23 17.89 32.99 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 34' ' ' CYS . 86.5 t -98.3 154.15 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.443 ' HB3' ' CG2' ' A' ' 47' ' ' VAL . 1.6 p -121.59 141.76 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 26.5 m -146.38 130.98 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.46 ' CG2' HG23 ' A' ' 25' ' ' ILE . 12.5 p -100.34 150.01 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -111.39 131.02 55.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -148.5 86.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 68.42 -63.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -124.3 70.27 0.46 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' GLY . 39.2 p -37.89 127.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 0.764 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -166.38 47.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -123.27 173.22 8.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.589 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.22 123.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -163.22 163.72 16.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.19 37.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 34' ' ' CYS . 2.4 t -77.25 -28.8 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -73.05 -5.07 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.0 t -116.55 32.18 6.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 51.9 mt -100.53 170.48 8.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.98 135.28 6.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -106.1 138.54 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.25 178.74 19.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.501 ' OG1' ' CG ' ' A' ' 89' ' ' ARG . 86.3 m -123.05 143.22 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 110.363 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.436 ' OD2' ' CZ ' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -108.12 100.77 10.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.5 -13.22 38.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.83 -41.37 86.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.38 9.21 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' ASP . 11.1 mtm180 56.67 50.47 12.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.0 mt -132.0 161.78 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -78.56 142.42 37.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 1.7 m -121.12 172.91 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -124.64 139.8 53.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.491 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 4.3 m-85 -120.03 115.28 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.1 tt -133.26 100.6 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.82 68.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 52.51 57.13 14.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -128.47 160.39 32.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.436 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -151.6 105.5 3.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER -145.86 171.59 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.47 123.99 47.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.557 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.3 pt -118.25 170.99 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 146.22 55.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.49 -57.15 13.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.14 -42.31 69.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.467 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -64.17 -43.69 94.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.28 -31.08 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -76.06 -38.79 56.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -30.57 71.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.452 ' CG ' HD11 ' A' ' 25' ' ' ILE . 44.3 mt -63.47 -47.72 80.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.07 -54.52 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.8 t -54.29 -36.84 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.48 -32.57 74.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.57 42.03 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.94 159.18 17.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.423 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.3 tp10 -69.18 142.63 54.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -121.81 117.57 26.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.423 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 30.3 mm-40 -122.04 -11.26 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.501 ' CG ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.466 ' HG2' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.463 0.173 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.4 99.78 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.446 ' CD1' HD12 ' A' ' 80' ' ' LEU . 2.6 pp -60.92 133.37 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.54 163.26 14.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 pp -138.91 156.49 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.4 t0 -134.97 92.34 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -28.52 62.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.87 -49.97 64.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -99.84 -30.48 12.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 101.27 15.46 27.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' ASP . 79.0 t -105.66 155.52 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 p -126.27 142.18 51.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 p -144.78 131.95 20.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.426 ' CG2' HG22 ' A' ' 25' ' ' ILE . 3.4 p -100.57 156.42 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' CB ' ' HB3' ' A' ' 41' ' ' SER . 2.1 pt-20 -115.63 132.8 56.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -141.69 87.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 9.9 pt-20 44.95 25.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . 156.52 59.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.415 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 12.0 p -38.27 135.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.68 44.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -120.18 -177.85 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.656 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.75 127.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -158.9 159.26 29.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.69 16.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.17 -27.03 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -75.1 -2.89 29.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.5 t -116.43 35.57 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.443 HD13 ' CD2' ' A' ' 80' ' ' LEU . 52.0 mt -105.08 165.58 10.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.47 131.71 4.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 mt -106.28 141.7 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.16 170.74 26.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.6 m -123.06 136.07 54.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -97.34 103.17 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.78 -11.49 46.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.244 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -38.7 92.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.2 9.57 4.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' ASP . 4.5 mtp180 53.83 52.4 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -130.31 161.51 31.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -87.72 139.96 30.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.58 172.59 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.494 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -133.99 143.71 48.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 68' ' ' LYS . 13.2 m-85 -119.11 135.02 54.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.461 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 16.8 tt -157.35 105.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 2.1 t70 79.01 32.67 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.07 44.18 78.31 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.534 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -116.26 172.15 7.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.426 ' NE ' ' OD2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -151.25 109.89 3.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.469 HD21 ' CD ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -144.69 170.9 15.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.418 ' N ' HD13 ' A' ' 70' ' ' LEU . 14.1 m-70 -99.74 120.95 40.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.47 ' CD1' HD13 ' A' ' 80' ' ' LEU . 13.0 pt -112.52 166.48 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.69 151.03 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.05 -56.96 15.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.03 -43.31 77.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.47 -37.14 84.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.67 -30.62 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -77.03 -41.88 40.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -29.13 70.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 72' ' ' ILE . 14.7 mt -61.75 -42.44 98.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.4 t -69.11 -46.5 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.3 t -56.91 -37.46 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.3 -32.99 74.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.03 40.74 0.3 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -101.65 158.58 15.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.25 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.59 148.53 46.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -129.53 102.52 6.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -121.83 -11.03 8.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.514 0.197 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.4 p -93.68 124.82 37.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.466 ' CG2' HG21 ' A' ' 36' ' ' VAL . 2.4 pp -70.23 143.23 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.84 164.11 18.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.458 ' CD1' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -139.18 150.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.458 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -131.57 92.46 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -31.36 63.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.9 -51.16 66.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -94.85 -24.64 16.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 86.39 23.89 41.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 4.7 t -110.82 164.1 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.45 0.735 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.504 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.7 p -119.41 142.71 47.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 t -146.03 117.23 7.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.042 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 25' ' ' ILE . 9.7 p -97.22 151.01 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' N ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -92.33 145.87 24.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.415 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -162.02 168.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -46.91 -24.67 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 41' ' ' SER . . . -141.3 60.5 0.55 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' GLY . 27.8 t -39.27 127.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.19 48.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.39 176.74 4.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.21 126.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -173.82 171.38 1.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.63 24.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.474 ' CG1' HD11 ' A' ' 50' ' ' LEU . 90.6 t -75.35 -25.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -75.4 -2.9 30.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.1 m -116.68 37.86 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.474 HD11 ' CG1' ' A' ' 47' ' ' VAL . 45.3 mt -103.84 170.25 8.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -161.76 138.14 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.472 HD13 ' CG2' ' A' ' 81' ' ' VAL . 2.9 mt -104.27 140.52 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.476 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -139.13 176.15 21.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.4 m -130.17 143.33 50.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.8 OUTLIER -105.33 104.57 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.04 -13.41 35.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.5 -40.28 86.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.22 9.47 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' ASP . 2.0 mtt-85 54.47 51.82 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -130.25 159.48 36.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.7 m -84.57 143.48 29.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.473 ' CG1' ' HD3' ' A' ' 69' ' ' ARG . 3.3 m -127.02 179.01 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -122.66 142.28 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 68' ' ' LYS . 1.6 m-85 -119.07 123.67 45.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.47 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 17.5 tt -148.79 109.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 9.3 t0 80.2 17.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.07 34.17 24.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.453 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -109.19 171.59 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.473 ' HD3' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -143.96 108.32 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.424 ' CD2' ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -130.59 171.54 12.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -100.42 123.87 45.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.563 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.455 ' CG2' HG22 ' A' ' 25' ' ' ILE . 5.2 pt -123.01 165.12 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.96 146.65 53.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 13.7 pt-20 -63.75 -47.53 80.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 5.8 tt0 -64.17 -37.92 89.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -41.19 77.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.91 -35.27 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -77.75 -37.62 48.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -68.45 -31.81 71.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.449 ' CD2' HD12 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -63.31 -51.83 64.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.472 ' CG2' HD13 ' A' ' 52' ' ' ILE . 2.2 t -55.36 -54.68 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.6 t -51.16 -34.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -64.01 -27.45 69.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.28 -11.84 2.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.02 149.03 19.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.426 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -69.21 148.22 50.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -128.09 112.41 14.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.426 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 31.1 mm-40 -121.0 -11.9 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.476 ' HD3' ' CA ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.533 0.206 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.3 p -72.33 140.61 48.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.485 ' CD1' ' C ' ' A' ' 25' ' ' ILE . 0.4 OUTLIER -84.91 143.02 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 35' ' ' SER . 1.4 tp10 -122.58 162.69 21.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 15.7 mm -143.57 144.31 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLY . 1.4 t0 -128.86 90.84 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 t -73.3 -32.09 64.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -49.96 -49.92 48.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -100.76 -22.81 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 88.77 24.7 31.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 23.2 t -108.57 160.56 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.449 ' HB3' ' CG2' ' A' ' 47' ' ' VAL . 1.7 p -126.41 142.25 51.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -149.01 128.51 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.4 p -97.1 151.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.28 144.55 27.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.402 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -157.15 169.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -42.46 -27.82 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -143.12 70.83 0.4 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 40' ' ' GLY . 12.5 t -39.29 125.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.038 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.38 48.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.67 177.55 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.635 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.39 125.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.262 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.3 162.97 6.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 142.15 27.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 34' ' ' CYS . 4.8 t -74.05 -24.5 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.81 -1.66 29.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 t -126.53 48.23 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.478 HD12 ' CD2' ' A' ' 80' ' ' LEU . 98.8 mt -111.17 164.44 12.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -161.75 138.23 8.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.449 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 3.0 mt -100.77 140.2 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.99 173.47 14.74 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.408 HG21 ' NE ' ' A' ' 89' ' ' ARG . 25.7 m -120.45 134.3 55.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 110.415 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -104.39 96.15 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.98 -12.42 49.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -39.56 94.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.36 12.97 4.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.3 ttt180 50.77 49.76 20.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.51 163.55 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.43 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 7.9 m -80.41 145.34 32.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.95 174.3 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.501 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 3.3 tt -106.47 125.44 51.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.75 120.93 40.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.5 tt -146.35 129.89 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.88 15.65 7.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.99 40.9 8.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.27 169.72 8.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 0.739 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.466 ' C ' ' CD ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -138.56 120.28 15.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.75 171.35 14.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -101.25 123.69 45.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.585 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.463 HG21 ' CG2' ' A' ' 25' ' ' ILE . 4.2 pt -126.46 170.98 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -77.57 146.62 36.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.0 -57.03 12.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.02 -42.16 93.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 25' ' ' ILE . 1.4 t0 -66.42 -27.09 67.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -74.21 -29.07 61.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -75.97 -45.13 36.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -32.93 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -53.75 -44.57 70.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' GLY . 3.5 t -72.06 -49.65 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.0 t -51.39 -35.88 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.52 -23.97 67.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 128.79 -0.63 6.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -70.14 153.73 42.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.414 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.3 tp10 -64.94 150.95 46.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -122.44 115.08 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.414 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 56.6 mm-40 -123.36 -10.96 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.43 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.556 ' HE2' ' CE1' ' A' ' 71' ' ' HIS . 5.7 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.5 p -101.14 103.28 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.468 HG22 ' CG2' ' A' ' 72' ' ' ILE . 1.6 pp -53.25 143.03 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -113.82 161.42 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.2 mm -125.36 135.32 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 6.1 t0 -126.22 89.84 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -73.08 -22.77 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.3 -50.74 38.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -111.68 -24.36 10.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.54 12.35 41.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.437 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 80.6 t -95.34 155.32 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.417 ' N ' HG12 ' A' ' 33' ' ' VAL . 3.6 p -114.25 143.56 44.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.247 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -139.2 113.27 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.4 p -96.96 151.87 4.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.48 146.59 27.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -157.72 169.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.66 -27.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -141.98 70.63 0.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.46 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 6.2 t -39.27 133.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 41' ' ' SER . 1.6 mtp180 175.52 47.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.493 ' CE1' ' HE3' ' A' ' 68' ' ' LYS . 20.0 m170 -125.63 174.22 8.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.618 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 4.6 mtp180 163.92 133.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.4 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -172.3 163.61 4.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 141.87 27.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 t -69.34 -25.6 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -77.13 -0.57 25.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -127.07 34.8 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 80' ' ' LEU . 67.8 mt -104.02 177.91 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.0 132.8 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 2.9 mt -107.45 140.96 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.77 179.02 22.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.591 ' HG1' ' NE ' ' A' ' 89' ' ' ARG . 84.8 m -120.8 142.36 49.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 110.415 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' NH2' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -104.51 100.36 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.86 -11.31 45.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.58 -40.58 92.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.49 9.28 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 57.44 50.47 11.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -132.38 161.42 33.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -82.03 147.92 28.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 m -131.69 173.7 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.468 ' CD1' HG23 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -130.97 142.58 50.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.413 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 12.9 m-85 -114.23 119.73 38.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.468 HG23 ' CD1' ' A' ' 63' ' ' LEU . 5.3 tt -129.76 140.6 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.61 -85.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . -165.04 28.3 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.493 ' HE3' ' CE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -128.83 165.59 20.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -124.57 142.57 51.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.57 171.44 18.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.556 ' CE1' ' HE2' ' A' ' 23' ' ' MET . 11.6 p80 -98.58 121.9 41.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.468 ' CG2' HG22 ' A' ' 25' ' ' ILE . 2.3 pt -119.98 164.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.5 155.02 19.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 16.2 pt-20 -71.05 -50.05 38.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.454 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 11.4 pt-20 -62.32 -42.37 99.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -31.96 72.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -67.21 -31.56 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -75.85 -44.23 41.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -55.89 -32.04 63.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 50' ' ' LEU . 3.6 mt -58.52 -43.05 89.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.8 t -65.43 -47.13 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.49 -37.24 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.25 75.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.23 42.27 0.24 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.93 155.83 18.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.254 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.423 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -63.39 149.47 45.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -125.17 112.62 16.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.423 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 23.5 mm-40 -122.09 -11.24 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.591 ' NE ' ' HG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.496 0.189 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.01 120.32 32.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.04 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.425 ' CD1' ' HG ' ' A' ' 80' ' ' LEU . 1.2 pp -72.04 141.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -120.26 164.34 16.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.486 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -130.17 150.0 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 3.2 t0 -129.37 88.96 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -24.3 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.48 -51.3 60.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -107.27 -27.76 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 104.19 9.91 35.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 76.7 t -93.8 165.11 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.503 0.766 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.432 ' SG ' ' CG2' ' A' ' 47' ' ' VAL . 7.9 m -127.58 141.87 51.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 108.276 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 8.8 p -142.23 123.04 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.5 p -97.06 157.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -101.23 147.48 26.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.416 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -161.76 168.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -41.4 -28.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -141.76 61.88 0.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 t -45.84 128.31 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 179.84 48.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.41 179.0 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.63 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.474 ' CG ' HG11 ' A' ' 33' ' ' VAL . 9.9 ttm180 -179.76 127.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -173.05 149.45 1.78 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 142.4 27.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.777 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.486 HG23 ' CD1' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -53.83 -39.39 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -62.37 -12.73 22.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -112.68 25.65 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.95 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 47' ' ' VAL . 50.7 mt -102.23 -178.94 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HA ' ' CB ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -162.51 130.54 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 mt -106.71 140.51 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.65 178.85 20.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.6 m -126.52 139.84 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -103.25 109.32 20.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.3 -10.2 56.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.52 -39.61 94.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.334 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.56 13.39 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 51.27 49.71 20.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.165 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.19 164.31 24.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.6 m -82.94 145.54 29.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 m -125.36 168.36 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -126.53 140.03 52.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 68' ' ' LYS . 18.5 m-85 -120.45 110.87 17.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 tt -120.85 100.29 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 60.72 73.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.38 55.93 14.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -126.45 162.33 25.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -151.19 104.7 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.411 ' CD2' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -148.49 171.34 16.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.415 ' CD2' ' H ' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -108.26 109.0 20.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 109.573 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.1 pt -95.76 165.41 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.74 145.16 35.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -56.57 19.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.81 -42.26 75.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.66 -42.92 85.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.45 70.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -76.7 -39.56 51.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -34.47 77.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.425 ' HG ' ' CD1' ' A' ' 25' ' ' ILE . 13.7 mt -57.2 -45.16 84.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.22 -46.25 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.17 -36.91 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.475 ' CB ' HD12 ' A' ' 27' ' ' ILE . . . -68.21 -32.93 73.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.38 39.62 0.43 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.67 160.92 14.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 0.757 . . . . 0.0 109.313 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.45 ' CB ' ' HA ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -61.97 142.12 57.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -125.05 95.96 4.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -120.02 -10.87 9.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.516 0.198 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.3 p -106.87 110.51 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.443 ' CD1' ' HG ' ' A' ' 80' ' ' LEU . 2.1 pp -59.9 143.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.4 tp10 -119.41 163.02 17.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.252 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.4 mm -137.59 148.26 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -131.85 89.75 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 p -73.25 -31.55 64.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.87 -50.22 69.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.94 -20.63 18.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 82.99 35.37 18.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 3.4 t -125.29 164.08 25.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 0.74 . . . . 0.0 109.244 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.506 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.6 p -124.99 141.91 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 5.0 t -139.3 122.91 17.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.4 t -97.03 151.51 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.447 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 4.3 mt-10 -108.75 132.08 54.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 1.9 mt -151.35 86.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 40.92 47.92 2.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.14 52.43 1.48 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -99.99 123.83 44.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -114.05 46.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -179.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.96 122.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.402 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -165.33 163.68 13.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 144.03 29.58 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.3 t -66.9 -27.45 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -75.15 -2.99 30.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 m -115.58 34.93 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.035 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' A' ' 80' ' ' LEU . 83.3 mt -104.2 172.34 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.448 ' CB ' ' HB2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.33 128.8 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 2.9 mt -109.57 141.26 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.0 175.23 26.49 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.531 1.145 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.3 m -139.17 143.17 38.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.49 116.03 31.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.01 -8.02 45.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -42.9 84.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -134.47 13.11 3.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 55.84 45.52 24.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -118.69 163.41 16.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.1 m -95.19 150.66 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.89 171.13 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.487 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -134.92 143.76 47.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.448 ' HB2' ' CB ' ' A' ' 51' ' ' ARG . 52.6 m-85 -119.03 133.16 55.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 16.4 tt -156.33 102.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 5.3 t0 82.41 37.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.38 40.44 99.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.78 173.29 6.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.88 113.36 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.84 171.43 14.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -104.05 124.16 48.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.579 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.571 ' CD1' ' CD1' ' A' ' 80' ' ' LEU . 10.2 pt -115.24 170.69 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.428 ' CB ' ' HB2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -64.8 146.03 55.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.66 -57.12 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.93 -37.44 76.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.428 ' HB2' ' CB ' ' A' ' 73' ' ' SER . 1.0 OUTLIER -68.62 -31.32 70.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.496 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -69.61 -30.17 67.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -76.05 -44.21 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -57.89 -29.66 65.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.571 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 1.3 mt -61.18 -41.65 97.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.2 t -67.54 -48.48 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.0 t -54.84 -37.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.79 -25.94 68.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.56 19.2 5.83 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.418 ' HB2' ' CB ' ' A' ' 50' ' ' LEU . . . -78.97 157.62 28.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.46 149.5 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -133.6 102.39 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -119.43 -13.63 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.468 ' HD3' ' CG2' ' A' ' 52' ' ' ILE . 29.9 ptt180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.458 0.17 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.6 p -114.42 132.57 56.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.452 HD13 ' CB ' ' A' ' 76' ' ' ASP . 0.1 OUTLIER -78.6 143.14 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -114.51 163.74 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 28' ' ' ASP . 27.1 mm -138.3 142.29 35.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -128.62 89.41 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 m -73.89 -45.93 47.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.66 -51.22 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -87.87 -25.01 23.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 77.49 54.67 4.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 2.9 t -147.79 164.39 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.507 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.8 p -117.28 143.12 46.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 108.259 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 85.3 p -146.03 118.42 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.81 150.46 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -108.73 124.78 51.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.2 pp -146.87 86.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 9.2 tp10 67.28 -60.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -126.24 67.92 0.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' GLY . 16.2 t -37.57 135.18 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.53 45.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -100.26 173.11 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -175.16 119.46 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -168.6 159.38 8.47 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.75 20.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.403 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 55.6 t -68.29 -26.44 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -75.8 -1.58 25.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.9 m -126.73 48.27 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.43 HD13 ' CD2' ' A' ' 80' ' ' LEU . 96.5 mt -111.35 164.65 12.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.65 138.73 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 3.4 mt -108.49 142.86 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.81 179.08 16.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.493 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 86.5 m -125.49 142.17 51.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 59' ' ' ARG . 1.0 OUTLIER -110.88 105.5 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.9 -9.59 55.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.31 -36.9 77.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.42 15.05 4.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' ASP . 51.0 mtp180 45.05 48.92 9.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.21 164.13 23.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.6 m -85.3 140.71 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.473 HG23 ' CZ ' ' A' ' 69' ' ' ARG . 3.3 m -119.96 168.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -122.52 138.1 54.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.464 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 4.0 m-85 -119.12 111.47 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 5.7 tt -127.08 112.3 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 3.6 t0 79.56 13.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.6 31.71 20.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.409 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -105.52 172.86 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.473 ' CZ ' HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -137.32 115.92 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.452 HD21 ' CD1' ' A' ' 63' ' ' LEU . 1.2 pt? -136.62 171.35 14.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 2.0 p-80 -110.26 114.91 28.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.55 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 77' ' ' ALA . 4.8 pt -113.64 166.28 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.439 ' CB ' ' HB2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -64.88 144.93 56.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.99 -57.56 9.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.63 -40.61 88.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.452 ' CB ' HD13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -65.12 -30.49 71.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.494 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -71.08 -30.01 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -77.26 -38.81 50.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -66.58 -32.27 73.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.444 ' CD1' ' HG ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -56.77 -46.63 81.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.472 HG22 ' CD1' ' A' ' 52' ' ' ILE . 3.0 t -66.51 -50.31 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.0 t -51.1 -35.89 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.1 -24.48 67.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 132.49 -4.79 5.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.6 150.76 47.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.426 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.9 OUTLIER -65.44 149.87 49.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -121.05 108.63 14.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.426 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 30.1 mm-40 -121.49 -11.22 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.493 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.436 ' HG3' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.499 0.19 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -115.41 100.44 8.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 76' ' ' ASP . 1.5 pp -53.04 126.64 9.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 35' ' ' SER . 4.1 tp10 -94.56 164.94 12.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.443 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -139.14 127.91 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 1.8 t0 -117.07 88.5 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.98 -19.78 60.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.92 -51.2 70.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -99.7 -30.98 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.73 25.78 7.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 94.7 t -118.57 154.92 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.469 ' SG ' ' CG2' ' A' ' 47' ' ' VAL . 52.9 m -127.2 143.84 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.266 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 71.2 m -146.41 129.02 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.6 p -96.88 149.4 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 3.1 pt-20 -109.48 135.54 50.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.464 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 2.0 mt -149.35 88.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 11.8 pt-20 44.49 27.64 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.248 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.58 57.26 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.403 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 43.8 p -39.67 123.8 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.753 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -157.85 48.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.23 175.04 7.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.579 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.79 127.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -163.79 155.53 14.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 144.84 30.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.469 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 2.7 t -65.54 -25.97 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -78.34 0.55 25.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 m -120.21 35.45 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 75.0 mt -106.85 168.41 9.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.402 ' HA ' ' CB ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -162.09 129.0 3.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.408 ' CD1' HG22 ' A' ' 81' ' ' VAL . 3.2 mt -106.47 141.39 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.41 176.22 21.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -119.85 133.14 55.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.433 ' HB3' ' CD2' ' A' ' 60' ' ' LEU . 32.8 t0 -104.95 96.79 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.94 -12.73 39.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -58.92 -40.81 85.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.35 14.05 4.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 49.16 49.99 18.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -130.29 164.26 25.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.4 p -84.91 139.92 31.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.04 160.85 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -123.55 142.42 51.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 68' ' ' LYS . 46.5 m-85 -118.91 129.66 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.509 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 13.9 tt -151.13 104.02 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 1.1 t70 82.68 34.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.6 42.7 97.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.563 1.164 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.529 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -118.66 174.11 6.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.378 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.401 ' NH2' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -151.12 115.42 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.436 ' CD1' ' HG3' ' A' ' 23' ' ' MET . 0.1 OUTLIER -141.01 168.46 19.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.425 ' N ' HD11 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -99.86 108.75 21.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.445 HD11 ' CB ' ' A' ' 77' ' ' ALA . 1.7 pt -102.99 169.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.11 144.91 50.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 9.5 pt-20 -55.72 -46.64 77.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 13.0 pt-20 -63.15 -42.42 99.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.465 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -64.86 -36.2 83.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.445 ' CB ' HD11 ' A' ' 72' ' ' ILE . . . -67.72 -29.72 69.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -77.42 -36.52 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 110.266 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -67.0 -31.85 72.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 25' ' ' ILE . 18.0 mt -61.78 -48.89 78.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.408 HG22 ' CD1' ' A' ' 52' ' ' ILE . 75.6 t -61.64 -51.43 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.0 t -54.16 -36.3 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' HG12 ' A' ' 47' ' ' VAL . . . -67.36 -21.97 65.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.23 8.5 8.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -68.49 154.32 42.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -58.18 151.52 18.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -133.05 100.34 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -121.71 -10.75 8.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.3 tpp . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.506 0.193 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.32 135.92 52.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.068 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.464 ' CG2' ' CG2' ' A' ' 72' ' ' ILE . 1.8 pp -78.46 143.02 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.4 tp10 -115.08 163.57 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.4 HD11 ' CB ' ' A' ' 83' ' ' ALA . 7.1 tp -131.45 150.51 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -129.37 91.0 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -56.74 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.26 -51.06 47.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -78.41 -26.25 46.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 73.23 59.17 4.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -158.24 173.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.486 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.4 p -124.69 140.43 52.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 13.0 m -146.57 124.71 12.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.422 ' CG2' HG21 ' A' ' 25' ' ' ILE . 47.3 t -96.82 150.11 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 3.4 pt-20 -106.21 137.33 44.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.44 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 2.2 mt -150.75 92.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 12.4 pt-20 42.88 47.09 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.93 51.76 2.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 t -107.28 113.65 27.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 0.774 . . . . 0.0 109.965 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 ttt-85 -100.03 50.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -178.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.633 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -179.79 125.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.67 163.52 19.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.95 28.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.433 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 3.4 t -70.69 -27.78 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -73.48 -4.52 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.0 m -117.54 34.06 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 47' ' ' VAL . 68.3 mt -101.54 171.54 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.6 129.3 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 2.7 mt -108.73 141.11 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.9 179.02 22.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.2 m -131.25 134.91 46.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 59' ' ' ARG . 2.1 t0 -97.15 101.04 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.02 -12.86 42.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -39.73 90.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.12 9.55 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.8 ttt180 54.45 52.12 12.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -130.12 160.82 32.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 p -84.43 141.83 30.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.467 HG22 ' CZ ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -128.23 162.06 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -122.7 139.9 53.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.49 ' CE1' ' NH1' ' A' ' 69' ' ' ARG . 5.1 m-30 -119.18 110.66 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.487 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 13.7 tt -130.68 102.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 5.9 t0 81.79 49.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.26 44.21 43.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 176.45 5.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 109.377 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.49 ' NH1' ' CE1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -150.94 114.66 4.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.32 171.26 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -104.01 120.99 42.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.658 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.464 ' CG2' ' CG2' ' A' ' 25' ' ' ILE . 1.5 pt -119.38 166.4 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.8 t -70.08 154.2 42.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.61 -57.25 7.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.92 -45.02 60.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.35 -26.91 62.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.493 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -72.33 -30.38 64.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.33 -46.24 28.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.69 -30.04 54.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.36 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.454 ' HG ' ' CD1' ' A' ' 25' ' ' ILE . 14.2 mt -60.97 -41.06 95.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.1 t -67.19 -51.95 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.52 -36.83 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.4 ' CB ' HD11 ' A' ' 27' ' ' ILE . . . -62.39 -32.28 73.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.27 38.68 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.57 156.18 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.78 150.13 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -132.86 99.33 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -120.04 -12.42 9.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.296 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.9 ttp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.53 0.205 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.8 m -118.54 102.15 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 76' ' ' ASP . 2.8 pp -54.86 124.35 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -103.13 160.95 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.431 ' CG2' HD21 ' A' ' 80' ' ' LEU . 2.0 pp -125.11 156.44 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.3 OUTLIER -132.84 91.56 2.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -73.21 -46.4 50.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.948 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -51.16 66.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -29.88 38.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 81.91 45.47 7.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -144.95 173.82 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 46' ' ' PRO . 1.6 p -127.05 141.17 51.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 108.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 p -147.38 138.24 23.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 p -110.31 151.36 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -110.65 128.01 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.0 OUTLIER -144.17 86.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 68.42 -62.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -119.86 74.33 0.32 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' GLY . 27.4 p -37.93 124.43 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 110.047 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.01 49.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.48 165.83 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -177.82 118.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.506 ' O ' ' CG2' ' A' ' 33' ' ' VAL . . . -150.82 167.82 12.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.4 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 18.0 Cg_endo -75.05 144.97 30.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.14 -28.45 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.26 -4.01 33.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 t -118.57 31.73 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.45 HD11 ' CD2' ' A' ' 80' ' ' LEU . 62.5 mt -99.11 175.48 5.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.13 129.4 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.3 mt -105.77 144.34 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.7 175.24 25.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.5 m -123.54 137.23 54.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 110.432 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -106.76 103.46 12.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.18 -11.32 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.64 -40.8 84.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.39 13.46 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 51.89 50.1 19.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.58 164.09 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 p -84.05 149.64 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.935 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.45 HG22 ' CZ ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -129.77 169.14 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.0 142.1 51.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 68' ' ' LYS . 8.6 m-85 -118.98 125.78 50.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 11.3 tt -146.03 109.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 6.2 t0 78.91 22.21 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.28 34.94 44.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -111.31 170.51 8.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.45 ' CZ ' HG22 ' A' ' 62' ' ' VAL . 4.0 tpp85 -137.68 121.14 17.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.31 171.45 14.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.8 p80 -105.45 118.37 36.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.589 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.8 pt -112.65 170.3 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.56 144.94 45.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 12.6 pt-20 -54.53 -48.73 71.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.453 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 13.2 pt-20 -63.69 -41.71 98.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.474 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . 1.0 OUTLIER -65.63 -30.06 70.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.89 -30.0 66.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.462 ' OE1' ' CG2' ' A' ' 82' ' ' VAL . 1.0 OUTLIER -77.0 -41.81 41.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -31.82 71.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 25' ' ' ILE . 23.2 mt -59.98 -44.42 94.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.7 t -64.96 -48.49 83.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.462 ' CG2' ' OE1' ' A' ' 78' ' ' GLN . 49.6 t -58.45 -37.41 63.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.95 -31.73 72.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.07 40.39 0.41 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.32 158.22 16.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 0.73 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.409 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -67.71 144.63 55.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -126.68 108.79 11.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.409 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 15.7 mm-40 -120.85 -12.44 8.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.531 0.205 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.6 t -99.6 142.55 30.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.98 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.473 ' CD1' ' HG ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -90.22 127.74 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.0 tp10 -105.03 162.9 12.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.4 mm -141.94 141.78 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.76 92.26 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -56.51 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -51.09 62.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.9 mp0 -72.64 -29.09 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.83 57.4 3.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -161.3 173.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 50' ' ' LEU . 1.8 p -126.8 143.17 51.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 43.9 p -144.83 121.53 11.17 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.409 ' CG2' HD11 ' A' ' 63' ' ' LEU . 12.0 p -96.95 152.53 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.447 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 2.7 mt-10 -106.57 131.23 53.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 1.9 mt -151.21 86.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' ILE . 7.0 pt-20 38.12 45.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.35 51.73 1.04 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' ARG . 35.6 t -94.95 -65.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 41' ' ' SER . 26.1 mtt-85 38.28 40.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -172.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -154.2 114.13 3.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.09 159.56 36.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.55 17.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.562 1.822 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.466 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 3.4 t -60.31 -26.12 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -77.64 -0.35 26.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.6 t -125.45 44.28 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.5 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 53.8 mt -106.62 169.54 8.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.23 138.19 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 3.3 mt -108.87 144.72 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.23 176.66 18.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.155 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.6 m -131.19 135.03 47.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.448 ' HB3' ' CD2' ' A' ' 60' ' ' LEU . 32.4 t70 -109.32 99.7 8.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.9 -8.78 47.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -69.37 -35.4 75.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.25 15.04 4.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 46.68 49.13 14.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -133.85 164.44 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.5 m -86.73 152.88 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 m -125.02 174.46 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.508 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 3.2 tt -116.38 128.23 55.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.415 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -113.92 111.15 21.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.462 ' CD1' HD22 ' A' ' 50' ' ' LEU . 3.8 tp -121.88 122.97 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.33 -72.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . -170.16 37.67 0.19 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.496 ' CG ' ' N ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -120.66 168.8 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.496 ' N ' ' CG ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -145.45 121.2 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.36 170.6 15.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -94.83 121.66 36.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.457 ' CG2' HG22 ' A' ' 25' ' ' ILE . 1.7 pt -119.35 170.29 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.95 153.8 42.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -57.24 12.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -56.74 -42.59 79.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -35.77 81.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -65.56 -30.81 71.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -77.06 -40.68 45.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -61.55 -34.29 75.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 1.4 mt -53.4 -45.13 69.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.5 ' CG2' ' OD1' ' A' ' 87' ' ' ASP . 3.5 t -68.55 -50.46 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.8 t -51.88 -36.73 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.8 -23.06 67.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.53 9.5 8.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -71.5 158.1 36.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.764 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.415 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -67.27 150.18 49.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.5 ' OD1' ' CG2' ' A' ' 81' ' ' VAL . 2.7 t0 -127.62 106.19 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.415 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 46.8 mm-40 -121.74 -11.47 8.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.508 0.194 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.0 p -77.46 141.12 39.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.495 ' CG2' ' CG2' ' A' ' 72' ' ' ILE . 1.2 pp -95.82 141.23 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.7 tp10 -110.29 163.32 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.6 mm -136.66 133.31 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -120.76 88.86 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.43 -42.42 62.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.91 -51.1 31.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -90.08 -23.73 21.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 78.68 38.58 23.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 2.8 t -126.13 164.45 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.507 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.9 p -116.57 142.34 47.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 108.321 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 42.0 m -149.26 119.64 7.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 p -97.95 150.68 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 2.9 mt-10 -106.27 128.99 54.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -153.96 86.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' ILE . 2.8 pt-20 32.03 69.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.45 64.29 1.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 t -114.24 123.9 50.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -124.07 47.38 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -177.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.603 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.8 127.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -171.07 170.52 2.84 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 126.95 10.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.454 ' CG2' ' C ' ' A' ' 33' ' ' VAL . 46.1 t -68.92 -20.26 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -79.82 -3.94 49.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 t -127.27 50.01 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.483 HD11 ' CD2' ' A' ' 80' ' ' LEU . 91.7 mt -110.98 176.02 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -161.4 136.96 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 3.6 mt -111.16 144.64 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.49 179.34 18.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 60' ' ' LEU . 15.7 m -143.03 142.33 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.388 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -94.4 111.6 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.23 -7.47 47.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.58 -35.13 65.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.65 13.29 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' ASP . 8.0 mtm180 48.32 45.45 20.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.42 ' O ' ' CG2' ' A' ' 54' ' ' THR . 13.6 mt -113.8 163.1 15.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.43 147.99 23.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.62 172.89 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.431 ' CD1' ' C ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -134.42 143.15 47.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.42 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 14.8 m-85 -119.07 124.53 47.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' GLY . 16.7 tt -130.09 124.61 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.26 -65.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . 177.21 37.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.71 172.52 7.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.68 125.69 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.51 171.83 18.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 130.7 55.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.536 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.495 ' CG2' ' CG2' ' A' ' 25' ' ' ILE . 1.4 pt -120.6 168.93 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.74 145.3 56.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.68 -38.89 79.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -71.41 -39.3 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.407 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 1.8 m-20 -70.99 -28.42 64.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.487 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -71.91 -30.03 64.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -77.17 -42.91 35.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -29.78 68.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.483 ' CD2' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -58.24 -46.46 85.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 84' ' ' GLY . 21.9 t -71.2 -47.62 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 51.2 t -50.57 -35.88 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.99 -29.29 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 143.0 -13.04 2.37 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -56.51 156.61 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.42 152.12 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -132.85 103.94 6.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -122.32 -10.34 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.457 ' HG2' ' CG2' ' A' ' 52' ' ' ILE . 1.4 ptt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.512 0.196 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.5 p -98.69 130.99 45.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.474 ' CG2' HG21 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -89.2 140.91 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -130.42 163.35 27.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 47' ' ' VAL . 16.7 mm -135.78 151.02 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.381 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -126.41 90.34 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -35.31 66.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -49.35 -51.07 36.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -96.64 -22.58 16.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 86.91 15.83 62.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.505 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 3.2 t -99.98 164.38 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.505 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 7.2 p -105.04 143.8 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.263 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 12.1 t -143.41 112.77 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.426 HG21 ' N ' ' A' ' 37' ' ' GLU . 15.0 p -115.68 148.45 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.439 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -93.5 139.13 31.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -164.67 169.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 39' ' ' GLU . 2.0 pt-20 -54.71 88.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 92.53 53.89 1.9 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' GLY . 7.8 p -39.45 127.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.787 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -169.46 47.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -117.68 178.58 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.658 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 169.43 129.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.512 ' CB ' ' CD ' ' A' ' 46' ' ' PRO . . . -174.93 -178.65 0.36 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 45' ' ' ALA . 18.2 Cg_endo -75.0 144.3 30.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.456 HG22 ' CD1' ' A' ' 27' ' ' ILE . 2.9 t -79.2 -28.64 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.19 -2.74 29.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.449 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 3.2 t -118.47 40.22 3.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 34' ' ' CYS . 39.5 mt -109.6 156.42 20.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -141.42 149.83 41.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 3.1 mt -112.92 144.68 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.479 ' C ' ' CG2' ' A' ' 62' ' ' VAL . . . -119.08 174.42 15.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 m -125.05 133.97 52.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.405 ' HB3' ' CD2' ' A' ' 60' ' ' LEU . 11.2 t0 -107.5 100.51 9.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.31 -12.86 46.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -58.91 -41.44 87.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.53 13.34 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 51.22 50.57 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.405 ' CD2' ' HB3' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -130.91 163.15 28.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.06 156.83 26.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.479 ' CG2' ' C ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -132.74 179.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.507 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 3.1 tt -111.98 124.89 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.13 110.94 17.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.1 tt -131.85 125.65 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 t70 68.75 9.45 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.29 29.64 16.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.4 172.08 7.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.473 ' CZ ' HG22 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -137.6 120.63 16.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.21 169.97 16.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 1.1 t60 -97.52 125.84 42.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.577 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.474 HG21 ' CG2' ' A' ' 25' ' ' ILE . 1.1 pt -128.61 170.04 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.25 149.73 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.039 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.04 -35.54 81.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.26 -37.06 63.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.442 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 1.8 m-20 -72.42 -28.34 62.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.507 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -71.19 -30.58 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -77.05 -43.59 33.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -68.13 -29.61 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -55.12 -46.35 75.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 52' ' ' ILE . 8.2 t -71.54 -47.93 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.7 t -50.93 -35.74 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.01 -27.67 68.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 138.16 -9.34 3.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -58.5 150.42 22.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.416 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.3 tp10 -70.29 150.84 45.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -123.18 112.99 18.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.416 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 47.7 mm-40 -123.06 -10.93 8.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.526 ' SD ' ' CE1' ' A' ' 71' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.535 0.207 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.07 131.63 44.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.467 ' CD1' ' HG ' ' A' ' 80' ' ' LEU . 1.4 pp -73.66 143.05 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -119.75 162.14 19.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.7 mm -141.36 149.49 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLY . 4.1 t0 -130.14 89.71 2.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 p -72.98 -26.21 61.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -50.8 71.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -99.08 -20.23 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 87.17 18.98 56.68 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.464 1.103 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 3.7 t -102.73 163.34 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.6 p -127.44 142.51 51.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 108.361 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 18.4 t -148.79 128.1 12.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 p -99.03 151.16 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -107.36 131.75 53.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 39' ' ' GLU . 6.2 mt -148.02 86.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' ILE . 7.3 pt-20 37.48 37.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.78 61.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 t -39.46 124.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 110.018 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -155.6 48.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -122.91 175.35 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.599 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.77 123.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.01 166.65 2.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.57 28.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 t -60.95 -23.36 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -78.38 0.15 26.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.14 34.23 5.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 65' ' ' ILE . 76.4 mt -107.1 163.54 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.44 136.73 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.5 mt -102.21 140.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.58 179.1 18.1 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.542 1.152 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.502 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 63.7 m -124.66 143.03 50.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.74 102.76 10.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.91 -10.65 54.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -39.8 92.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.21 13.48 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 52.11 49.67 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.14 163.87 28.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.6 p -85.06 145.26 27.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 m -121.2 171.34 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -124.47 145.16 49.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.477 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 3.8 m-85 -116.88 116.58 27.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 4.5 tp -127.85 108.24 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 9.7 t0 81.99 -4.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.5 15.58 12.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.45 ' CG ' HG21 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -93.17 170.28 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 115.63 15.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.28 171.22 14.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.526 ' CE1' ' SD ' ' A' ' 23' ' ' MET . 12.2 p80 -103.19 115.48 30.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.615 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.471 HD12 ' CB ' ' A' ' 77' ' ' ALA . 1.3 pt -110.82 171.24 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.98 152.79 39.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.64 -57.21 13.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.15 -38.71 80.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.53 -27.95 68.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' CB ' HD12 ' A' ' 72' ' ' ILE . . . -75.14 -28.1 60.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -43.29 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -66.1 -30.58 71.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 3.7 mt -56.85 -45.58 82.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.468 ' CG1' ' HG ' ' A' ' 92' ' ' LEU . 18.8 t -69.35 -48.11 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.9 t -52.32 -37.03 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.04 -23.33 67.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.33 2.78 7.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -67.28 155.95 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.406 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -67.58 144.4 55.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -116.41 110.38 18.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.406 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 38.2 mm-40 -122.54 -10.74 8.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.502 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER -75.45 -46.44 32.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -153.33 -178.53 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -76.55 123.6 26.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' ' 81' ' ' VAL . 0.2 OUTLIER -41.39 105.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.45 177.6 4.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -142.08 -62.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -133.43 167.01 21.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.532 0.206 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.7 m -100.2 106.37 18.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 76' ' ' ASP . 2.9 pp -53.05 142.24 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -109.66 164.21 12.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -144.05 139.33 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.4 89.62 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -73.24 -39.92 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.19 -51.02 35.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -90.2 -27.1 19.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.58 23.99 34.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 13.7 t -111.81 161.78 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.455 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.6 p -127.19 142.81 51.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 108.295 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 26.8 t -148.97 135.19 19.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 71.6 t -98.8 158.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HA ' ' CB ' ' A' ' 41' ' ' SER . 5.4 mt-10 -112.32 133.79 54.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -162.2 86.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ILE . 11.3 pt-20 35.9 53.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' SER . . . 157.39 -39.12 0.55 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' GLY . 51.6 p 36.39 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.64 49.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.35 179.03 4.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.66 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -178.53 121.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -171.59 167.74 3.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 141.95 27.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.458 ' CG1' HD12 ' A' ' 50' ' ' LEU . 78.2 t -75.38 -27.27 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -74.63 -3.51 31.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.7 t -118.65 41.53 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.473 HD13 ' CD2' ' A' ' 80' ' ' LEU . 33.6 mt -103.78 167.84 9.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.32 131.01 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 3.3 mt -109.42 145.06 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.22 178.8 23.68 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.44 ' OG1' ' NE ' ' A' ' 89' ' ' ARG . 89.3 m -118.91 137.44 53.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.499 ' OD2' ' CZ ' ' A' ' 69' ' ' ARG . 0.5 OUTLIER -101.93 99.16 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.43 -14.25 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.88 -41.13 86.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.28 9.72 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.3 OUTLIER 55.38 51.48 12.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -131.22 162.74 29.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -82.8 136.84 34.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.8 m -120.9 164.35 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.458 ' CD1' ' C ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -123.03 143.16 50.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 68' ' ' LYS . 17.9 m-85 -118.72 126.53 52.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.445 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 12.1 tt -147.28 112.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 0.8 OUTLIER 77.72 10.99 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.5 41.75 5.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -116.1 171.78 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.499 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 0.3 OUTLIER -143.61 111.72 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.74 171.51 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -102.95 122.22 44.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.593 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.446 ' CG2' HG22 ' A' ' 25' ' ' ILE . 3.3 pt -119.12 163.74 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.04 149.78 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 75' ' ' GLU . 0.2 OUTLIER -66.85 -38.48 86.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 74' ' ' GLU . 4.2 tp10 -71.4 -37.72 71.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.471 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -70.86 -32.45 69.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.465 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -65.41 -32.61 74.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.45 ' HG3' ' CD1' ' A' ' 92' ' ' LEU . 0.6 OUTLIER -77.29 -43.22 33.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -66.17 -31.02 71.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.473 ' CD2' HD13 ' A' ' 50' ' ' LEU . 1.1 mt -62.61 -48.33 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 84' ' ' GLY . 2.7 t -61.94 -51.6 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.3 t -51.36 -35.42 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.92 -25.27 68.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 135.39 -6.85 4.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB3' ' CB ' ' A' ' 50' ' ' LEU . . . -62.03 152.72 31.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.418 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.9 OUTLIER -68.42 154.82 41.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -125.84 107.13 10.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.418 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 36.6 mm-40 -121.92 -10.22 8.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.44 ' NE ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER -46.69 -45.05 19.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 179.44 -68.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -157.36 -48.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.619 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.45 ' CD1' ' HG3' ' A' ' 78' ' ' GLN . 0.4 OUTLIER 71.26 -69.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -172.52 -48.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 55.32 65.37 1.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -83.59 90.89 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 3.0 mpp? . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.467 0.175 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.6 p -59.09 114.11 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.472 HG23 ' CG2' ' A' ' 72' ' ' ILE . 2.7 pp -59.16 143.15 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -124.18 164.19 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.418 HD11 ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -135.6 142.2 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -130.06 88.88 2.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.4 t -73.22 -43.72 60.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -38.9 26.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -97.95 -27.49 14.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 82.64 37.9 13.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 2.6 t -135.43 164.27 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.511 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 5.0 p -118.27 143.47 46.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 108.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 13.4 m -148.75 122.85 9.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.507 HG13 ' CD2' ' A' ' 43' ' ' HIS . 7.2 p -97.24 154.61 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.461 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -80.86 142.98 33.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.461 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 1.8 mt -151.61 169.72 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.22 -29.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 41' ' ' SER . . . -146.97 25.43 1.61 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.433 1.083 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 40' ' ' GLY . 34.5 p 35.81 89.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.969 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -132.04 59.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.507 ' CD2' HG13 ' A' ' 36' ' ' VAL . 0.3 OUTLIER -130.9 173.0 11.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.552 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 165.56 131.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -175.2 171.44 1.25 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.426 ' HG2' ' CB ' ' A' ' 49' ' ' SER . 18.3 Cg_endo -75.04 131.69 14.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.802 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' A' ' 34' ' ' CYS . 25.0 t -70.21 -27.54 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -75.94 -2.37 30.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.426 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 1.6 t -121.7 45.27 2.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 80' ' ' LEU . 83.1 mt -106.99 167.84 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.5 137.37 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.462 ' CD1' HG22 ' A' ' 81' ' ' VAL . 3.6 mt -111.04 141.52 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.37 173.7 21.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.2 m -120.91 134.87 55.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -96.57 98.05 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.66 -12.49 46.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.14 -39.13 91.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.19 9.61 4.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' ASP . 3.6 ttt-85 54.62 51.86 13.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.4 mt -130.19 161.05 32.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -82.92 144.41 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -131.08 168.1 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.408 ' CD2' ' N ' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -122.7 142.23 50.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.408 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 2.5 m-85 -118.82 126.38 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.411 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 11.1 tt -148.67 115.14 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 4.4 t70 75.18 19.72 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.56 36.85 28.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.4 171.83 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.0 109.07 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.15 171.34 14.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -100.86 112.73 25.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.472 ' CG2' HG23 ' A' ' 25' ' ' ILE . 2.9 pt -112.53 165.33 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.79 146.8 40.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -57.36 8.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -53.06 -43.03 66.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.456 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -66.32 -42.54 88.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.163 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.455 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -57.25 -33.59 67.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -38.68 51.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.04 -31.79 71.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -60.93 -50.07 74.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.474 ' CG2' ' OD2' ' A' ' 87' ' ' ASP . 2.5 t -59.44 -53.15 52.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.9 t -51.27 -35.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.414 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -64.12 -26.8 68.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 140.87 -11.27 2.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB2' ' CB ' ' A' ' 50' ' ' LEU . . . -60.08 150.93 27.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.416 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -65.64 155.19 36.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.474 ' OD2' ' CG2' ' A' ' 81' ' ' VAL . 2.5 t70 -129.25 112.87 14.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.416 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 29.4 mm-40 -123.58 -10.58 7.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -44.56 19.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.44 -64.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -169.66 173.14 6.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.59 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.37 173.94 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 179.12 119.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.92 132.62 44.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.39 101.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 p30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 11.0 mtm . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.461 0.172 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.7 m -88.16 127.09 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.479 HG21 ' CG2' ' A' ' 36' ' ' VAL . 2.3 pp -86.61 134.21 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -107.54 164.35 12.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -130.9 136.55 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' VAL . 5.4 t0 -124.33 89.05 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -72.99 -24.96 60.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -51.03 65.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.39 -23.57 13.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 90.33 44.08 4.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' ASP . 53.8 t -136.83 159.29 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 0.727 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.1 p -116.9 143.1 46.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.308 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -139.36 114.49 9.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.479 ' CG2' HG21 ' A' ' 25' ' ' ILE . 7.2 p -96.84 152.8 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' N ' HG23 ' A' ' 36' ' ' VAL . 0.2 OUTLIER -101.65 148.23 25.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -160.47 169.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -41.05 -28.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -141.72 71.38 0.41 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 83.2 p -39.44 143.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 110.006 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.6 OUTLIER 162.93 44.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 167.14 12.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.612 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 171.87 132.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.28 159.51 10.51 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 125.74 9.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.7 t -57.88 -26.35 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -76.09 -1.92 28.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -125.15 33.26 5.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 80' ' ' LEU . 61.2 mt -101.45 176.89 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.41 ' HA ' ' CB ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -161.86 129.85 4.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 mt -106.83 138.37 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.44 179.11 17.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.3 m -122.23 133.63 54.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 110.394 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.456 ' HB3' ' CD2' ' A' ' 60' ' ' LEU . 17.3 t70 -105.62 96.38 6.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.83 -12.71 38.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.89 -40.03 83.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.25 14.02 4.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.66 50.12 19.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.32 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -132.77 163.17 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.409 ' OG ' ' NE ' ' A' ' 89' ' ' ARG . 5.9 m -88.78 139.67 30.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.4 m -120.04 156.08 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.481 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -115.54 143.85 44.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.426 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 10.0 m-85 -119.01 128.95 54.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 8.2 tt -146.58 106.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 4.9 t0 81.58 18.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.86 40.03 12.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.56 170.97 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.72 111.24 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.14 171.46 14.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -97.4 114.07 25.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 pt -110.42 164.14 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.84 145.56 54.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -56.52 18.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.53 -42.73 67.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.474 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -63.21 -45.32 92.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.24 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -77.12 -38.05 52.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -63.6 -34.16 77.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.475 ' CD1' HD11 ' A' ' 25' ' ' ILE . 75.0 mt -62.27 -49.5 75.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 t -54.49 -56.77 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.5 t -54.45 -36.7 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.82 -32.96 74.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.23 42.35 0.22 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.86 157.04 18.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.1 tp10 -63.8 152.77 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -132.42 107.01 8.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 16.6 mm-40 -120.85 -11.88 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' NE ' ' OG ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -52.24 -48.92 64.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.85 -60.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -167.96 178.95 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.62 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -70.43 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.13 172.5 12.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -145.52 140.15 27.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -40.83 145.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.9 t0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.43 ' HG2' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.513 0.197 . . . . 0.0 111.011 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.7 p -118.76 97.87 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.468 HD13 ' CD1' ' A' ' 80' ' ' LEU . 2.6 pp -53.03 130.33 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.63 164.67 12.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.98 156.76 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.6 t70 -130.84 90.07 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 p -72.32 -8.77 56.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.19 -50.42 19.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -101.42 -23.04 14.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.47 22.29 27.07 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' ASP . 39.7 t -112.1 160.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.412 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.8 p -118.74 143.22 47.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.312 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 p -137.89 121.43 17.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.464 ' CG2' HG22 ' A' ' 25' ' ' ILE . 8.7 p -97.44 150.99 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.56 133.38 55.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -149.82 86.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' ILE . 16.5 pt-20 37.81 31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 154.56 62.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 p -39.29 125.56 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 109.949 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -166.21 48.36 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -132.18 173.17 11.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 175.0 129.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.4 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -158.92 165.72 17.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 128.08 11.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.63 -27.51 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -73.63 -4.3 33.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 t -116.72 34.37 5.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.451 HD13 ' CD2' ' A' ' 80' ' ' LEU . 80.2 mt -105.89 169.43 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.81 128.81 3.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.63 143.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.08 174.96 26.69 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.498 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 84.8 m -119.42 136.92 54.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -107.04 106.24 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -10.51 51.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.78 -40.71 89.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.48 13.81 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 49.61 50.04 18.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.26 164.05 27.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.56 ' HG ' ' NE ' ' A' ' 89' ' ' ARG . 3.6 m -88.15 142.11 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.7 m -126.36 162.51 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.443 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -121.83 143.02 49.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.425 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 81.7 m-85 -119.26 122.74 42.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.2 tt -151.14 127.93 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.95 43.69 17.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 53.21 48.61 58.8 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HD3' ' N ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -122.67 171.67 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -148.31 112.12 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.45 171.27 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.21 112.44 25.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.471 HD13 ' CB ' ' A' ' 77' ' ' ALA . 1.3 pt -103.13 171.12 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.1 163.02 28.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -57.09 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -58.08 -38.77 77.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.38 -37.29 86.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' CB ' HD13 ' A' ' 72' ' ' ILE . . . -70.32 -27.33 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -77.16 -34.77 56.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -67.75 -30.57 70.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 25' ' ' ILE . 44.8 mt -60.48 -47.3 86.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.7 t -65.17 -50.94 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.83 -37.45 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.36 -33.11 75.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.26 43.24 0.22 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -110.28 156.59 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.72 149.88 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -127.53 106.56 9.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -121.36 -11.36 8.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.56 ' NE ' ' HG ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -52.01 -32.64 34.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.27 -62.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -81.49 58.86 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.648 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -111.6 90.46 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 40.0 mmm -111.23 -62.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 57.52 176.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.41 136.27 57.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.481 0.181 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.92 107.29 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.528 ' CG2' ' CG2' ' A' ' 72' ' ' ILE . 0.9 OUTLIER -63.09 139.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.89 161.3 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 mm -135.13 131.74 52.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 6.3 t0 -121.32 89.75 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -34.94 65.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -48.89 -51.14 31.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -96.98 -27.14 14.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 91.3 26.37 21.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 34.8 t -117.6 159.24 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.421 ' N ' HG11 ' A' ' 33' ' ' VAL . 1.7 p -124.75 143.0 51.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 108.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.9 p -142.46 116.69 9.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 37' ' ' GLU . 11.6 p -97.25 148.61 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.43 ' N ' HG21 ' A' ' 36' ' ' VAL . 3.2 pt-20 -111.87 131.36 55.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.425 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 3.7 mt -149.98 86.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 38' ' ' ILE . 1.9 mm-40 79.4 24.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.66 40.52 5.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -99.65 98.0 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -81.37 54.52 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -176.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.544 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.26 124.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.403 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -157.18 160.01 30.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.29 20.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.36 -24.57 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -73.54 -5.25 38.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.7 t -120.28 42.64 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.443 HD13 ' CD2' ' A' ' 80' ' ' LEU . 87.0 mt -107.72 169.84 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.62 134.14 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 mt -107.05 142.85 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.07 178.94 19.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.5 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 42.0 m -126.94 139.02 53.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ARG . 3.4 t0 -102.74 100.13 10.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.8 -13.4 55.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -40.87 91.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.37 10.59 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 54.7 50.9 14.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.4 mt -129.94 162.84 27.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.6 p -80.27 145.04 32.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.48 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 1.4 m -127.3 169.21 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -117.32 137.11 52.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.482 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 2.7 m-85 -120.0 115.73 24.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.4 tt -137.01 100.52 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.17 73.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.24 57.86 7.71 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -129.87 159.07 37.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -151.89 105.47 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER -143.97 171.36 14.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -104.28 127.13 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.528 ' CG2' ' CG2' ' A' ' 25' ' ' ILE . 1.4 pt -118.23 171.22 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.38 145.76 54.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 9.2 pt-20 -59.57 -45.0 93.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 1.8 tp10 -68.93 -36.76 78.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.58 -27.02 62.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.476 ' CA ' HD13 ' A' ' 72' ' ' ILE . . . -74.72 -28.76 60.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.08 -42.98 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -59.29 -35.43 73.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 37.0 mt -54.77 -45.74 74.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.76 -48.82 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.35 -37.06 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.19 -23.4 66.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.97 15.79 6.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -77.02 155.26 32.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.428 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.1 tp10 -62.12 144.3 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -121.67 116.31 24.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.428 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 47.7 mm-40 -123.84 -10.45 7.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.5 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 2.6 mmm180 -73.43 -28.9 62.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.57 -168.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 42.47 42.63 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.582 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.69 131.17 35.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.5 mmt 59.56 148.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.76 168.25 13.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -144.29 -52.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.548 0.213 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.6 p -98.51 107.09 19.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.467 ' CG1' ' HB3' ' A' ' 76' ' ' ASP . 2.7 pp -60.32 142.68 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -105.5 164.9 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -138.97 132.87 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 32' ' ' GLY . 1.2 t70 -123.35 88.61 2.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.88 -29.95 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -49.6 -51.3 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -103.08 -26.79 12.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 96.23 17.89 32.99 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 34' ' ' CYS . 86.5 t -98.3 154.15 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.443 ' HB3' ' CG2' ' A' ' 47' ' ' VAL . 1.6 p -121.59 141.76 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 26.5 m -146.38 130.98 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.46 ' CG2' HG23 ' A' ' 25' ' ' ILE . 12.5 p -100.34 150.01 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -111.39 131.02 55.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -148.5 86.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 68.42 -63.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -124.3 70.27 0.46 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' GLY . 39.2 p -37.89 127.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 0.764 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -166.38 47.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -123.27 173.22 8.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.589 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.22 123.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -163.22 163.72 16.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.19 37.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 34' ' ' CYS . 2.4 t -77.25 -28.8 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -73.05 -5.07 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.0 t -116.55 32.18 6.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 51.9 mt -100.53 170.48 8.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.98 135.28 6.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -106.1 138.54 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.25 178.74 19.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.501 ' OG1' ' CG ' ' A' ' 89' ' ' ARG . 86.3 m -123.05 143.22 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 110.363 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.436 ' OD2' ' CZ ' ' A' ' 69' ' ' ARG . 0.4 OUTLIER -108.12 100.77 10.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.5 -13.22 38.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.83 -41.37 86.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.38 9.21 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' ASP . 11.1 mtm180 56.67 50.47 12.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.0 mt -132.0 161.78 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -78.56 142.42 37.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 1.7 m -121.12 172.91 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -124.64 139.8 53.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.491 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 4.3 m-85 -120.03 115.28 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.1 tt -133.26 100.6 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.82 68.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 52.51 57.13 14.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -128.47 160.39 32.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.436 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -151.6 105.5 3.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER -145.86 171.59 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.47 123.99 47.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.557 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.3 pt -118.25 170.99 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 146.22 55.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.49 -57.15 13.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.14 -42.31 69.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.467 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -64.17 -43.69 94.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.28 -31.08 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -76.06 -38.79 56.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -30.57 71.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.452 ' CG ' HD11 ' A' ' 25' ' ' ILE . 44.3 mt -63.47 -47.72 80.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.07 -54.52 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.8 t -54.29 -36.84 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.48 -32.57 74.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.57 42.03 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.94 159.18 17.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.423 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.3 tp10 -69.18 142.63 54.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -121.81 117.57 26.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.423 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 30.3 mm-40 -122.04 -11.26 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.501 ' CG ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER -91.13 -30.71 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 51.63 -168.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.342 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 71.19 -66.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 49.4 -174.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.0 128.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.73 120.87 35.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -121.92 168.62 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.466 ' HG2' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.463 0.173 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.4 99.78 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.446 ' CD1' HD12 ' A' ' 80' ' ' LEU . 2.6 pp -60.92 133.37 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.54 163.26 14.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.5 pp -138.91 156.49 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.4 t0 -134.97 92.34 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -28.52 62.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.87 -49.97 64.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -99.84 -30.48 12.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 101.27 15.46 27.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' ASP . 79.0 t -105.66 155.52 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 p -126.27 142.18 51.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 p -144.78 131.95 20.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.426 ' CG2' HG22 ' A' ' 25' ' ' ILE . 3.4 p -100.57 156.42 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' CB ' ' HB3' ' A' ' 41' ' ' SER . 2.1 pt-20 -115.63 132.8 56.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -141.69 87.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 9.9 pt-20 44.95 25.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . 156.52 59.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.415 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 12.0 p -38.27 135.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.68 44.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -120.18 -177.85 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.656 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.75 127.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -158.9 159.26 29.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.69 16.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.17 -27.03 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -75.1 -2.89 29.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.5 t -116.43 35.57 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.443 HD13 ' CD2' ' A' ' 80' ' ' LEU . 52.0 mt -105.08 165.58 10.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.47 131.71 4.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 mt -106.28 141.7 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.16 170.74 26.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.6 m -123.06 136.07 54.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -97.34 103.17 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.78 -11.49 46.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.244 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -38.7 92.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.2 9.57 4.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' ASP . 4.5 mtp180 53.83 52.4 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -130.31 161.51 31.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -87.72 139.96 30.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.58 172.59 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.494 ' C ' ' CD1' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -133.99 143.71 48.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.534 ' CD1' ' O ' ' A' ' 68' ' ' LYS . 13.2 m-85 -119.11 135.02 54.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.461 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 16.8 tt -157.35 105.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 2.1 t70 79.01 32.67 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.07 44.18 78.31 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.534 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -116.26 172.15 7.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' NE ' ' OD2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -151.25 109.89 3.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.469 HD21 ' CD ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -144.69 170.9 15.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.418 ' N ' HD13 ' A' ' 70' ' ' LEU . 14.1 m-70 -99.74 120.95 40.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.47 ' CD1' HD13 ' A' ' 80' ' ' LEU . 13.0 pt -112.52 166.48 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.69 151.03 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.05 -56.96 15.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.03 -43.31 77.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.47 -37.14 84.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.67 -30.62 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -77.03 -41.88 40.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -29.13 70.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.47 HD13 ' CD1' ' A' ' 72' ' ' ILE . 14.7 mt -61.75 -42.44 98.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 79.4 t -69.11 -46.5 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.3 t -56.91 -37.46 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.3 -32.99 74.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.03 40.74 0.3 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -101.65 158.58 15.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.25 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.59 148.53 46.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -129.53 102.52 6.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -121.83 -11.03 8.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.89 -30.22 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 179.51 -68.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.42 173.27 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 109.625 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -164.6 142.37 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.78 157.9 32.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.89 144.51 43.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -152.88 125.3 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.1 t0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.514 0.197 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.4 p -93.68 124.82 37.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.466 ' CG2' HG21 ' A' ' 36' ' ' VAL . 2.4 pp -70.23 143.23 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.84 164.11 18.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.458 ' CD1' ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -139.18 150.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.458 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -131.57 92.46 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -31.36 63.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.9 -51.16 66.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -94.85 -24.64 16.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 86.39 23.89 41.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 4.7 t -110.82 164.1 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.45 0.735 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.504 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.7 p -119.41 142.71 47.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 t -146.03 117.23 7.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.042 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.466 HG21 ' CG2' ' A' ' 25' ' ' ILE . 9.7 p -97.22 151.01 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' N ' HG23 ' A' ' 36' ' ' VAL . 0.1 OUTLIER -92.33 145.87 24.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.415 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -162.02 168.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -46.91 -24.67 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 41' ' ' SER . . . -141.3 60.5 0.55 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' GLY . 27.8 t -39.27 127.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.19 48.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.39 176.74 4.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.21 126.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -173.82 171.38 1.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 139.63 24.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.474 ' CG1' HD11 ' A' ' 50' ' ' LEU . 90.6 t -75.35 -25.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -75.4 -2.9 30.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.1 m -116.68 37.86 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.474 HD11 ' CG1' ' A' ' 47' ' ' VAL . 45.3 mt -103.84 170.25 8.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -161.76 138.14 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.472 HD13 ' CG2' ' A' ' 81' ' ' VAL . 2.9 mt -104.27 140.52 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.476 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -139.13 176.15 21.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.4 m -130.17 143.33 50.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.8 OUTLIER -105.33 104.57 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.04 -13.41 35.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.5 -40.28 86.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.22 9.47 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' ASP . 2.0 mtt-85 54.47 51.82 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -130.25 159.48 36.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.7 m -84.57 143.48 29.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.473 ' CG1' ' HD3' ' A' ' 69' ' ' ARG . 3.3 m -127.02 179.01 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -122.66 142.28 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 68' ' ' LYS . 1.6 m-85 -119.07 123.67 45.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.47 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 17.5 tt -148.79 109.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 9.3 t0 80.2 17.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.07 34.17 24.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -109.19 171.59 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.473 ' HD3' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -143.96 108.32 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.424 ' CD2' ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -130.59 171.54 12.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -100.42 123.87 45.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.563 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.455 ' CG2' HG22 ' A' ' 25' ' ' ILE . 5.2 pt -123.01 165.12 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.96 146.65 53.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 13.7 pt-20 -63.75 -47.53 80.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 5.8 tt0 -64.17 -37.92 89.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -41.19 77.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB3' ' CD1' ' A' ' 92' ' ' LEU . . . -56.91 -35.27 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -77.75 -37.62 48.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -68.45 -31.81 71.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' CD2' HD12 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -63.31 -51.83 64.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.472 ' CG2' HD13 ' A' ' 52' ' ' ILE . 2.2 t -55.36 -54.68 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.6 t -51.16 -34.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' CB ' HG13 ' A' ' 27' ' ' ILE . . . -64.01 -27.45 69.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.28 -11.84 2.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.02 149.03 19.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.426 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -69.21 148.22 50.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -128.09 112.41 14.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.426 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 31.1 mm-40 -121.0 -11.9 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.476 ' HD3' ' CA ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -65.72 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 75.53 -55.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 92' ' ' LEU . 9.5 t-160 -56.41 -58.0 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -40.52 104.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.65 -53.2 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 65.05 115.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.02 165.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.533 0.206 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.3 p -72.33 140.61 48.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.485 ' CD1' ' C ' ' A' ' 25' ' ' ILE . 0.4 OUTLIER -84.91 143.02 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 35' ' ' SER . 1.4 tp10 -122.58 162.69 21.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 15.7 mm -143.57 144.31 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLY . 1.4 t0 -128.86 90.84 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 t -73.3 -32.09 64.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -49.96 -49.92 48.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -100.76 -22.81 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 88.77 24.7 31.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 23.2 t -108.57 160.56 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.449 ' HB3' ' CG2' ' A' ' 47' ' ' VAL . 1.7 p -126.41 142.25 51.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -149.01 128.51 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.4 p -97.1 151.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.28 144.55 27.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.402 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -157.15 169.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -42.46 -27.82 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -143.12 70.83 0.4 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 40' ' ' GLY . 12.5 t -39.29 125.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.038 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.38 48.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.67 177.55 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.635 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.39 125.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.262 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.3 162.97 6.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 142.15 27.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 34' ' ' CYS . 4.8 t -74.05 -24.5 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.81 -1.66 29.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 t -126.53 48.23 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.478 HD12 ' CD2' ' A' ' 80' ' ' LEU . 98.8 mt -111.17 164.44 12.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -161.75 138.23 8.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.449 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 3.0 mt -100.77 140.2 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.99 173.47 14.74 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.408 HG21 ' NE ' ' A' ' 89' ' ' ARG . 25.7 m -120.45 134.3 55.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 110.415 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -104.39 96.15 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.98 -12.42 49.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -39.56 94.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.36 12.97 4.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.3 ttt180 50.77 49.76 20.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.51 163.55 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.43 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 7.9 m -80.41 145.34 32.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.95 174.3 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.501 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 3.3 tt -106.47 125.44 51.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -116.75 120.93 40.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.5 tt -146.35 129.89 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.88 15.65 7.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.99 40.9 8.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.27 169.72 8.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 0.739 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' C ' ' CD ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -138.56 120.28 15.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.75 171.35 14.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -101.25 123.69 45.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.585 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.463 HG21 ' CG2' ' A' ' 25' ' ' ILE . 4.2 pt -126.46 170.98 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -77.57 146.62 36.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.0 -57.03 12.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.02 -42.16 93.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 25' ' ' ILE . 1.4 t0 -66.42 -27.09 67.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -74.21 -29.07 61.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -75.97 -45.13 36.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -32.93 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -53.75 -44.57 70.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' GLY . 3.5 t -72.06 -49.65 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.0 t -51.39 -35.88 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.52 -23.97 67.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 128.79 -0.63 6.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -70.14 153.73 42.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.414 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.3 tp10 -64.94 150.95 46.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -122.44 115.08 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.414 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 56.6 mm-40 -123.36 -10.96 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.43 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -72.2 -24.87 61.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 46.34 -167.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 41.26 33.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 99.85 1.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.99 153.88 17.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -165.6 -65.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.09 122.74 15.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.556 ' HE2' ' CE1' ' A' ' 71' ' ' HIS . 5.7 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.5 p -101.14 103.28 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.468 HG22 ' CG2' ' A' ' 72' ' ' ILE . 1.6 pp -53.25 143.03 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -113.82 161.42 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.2 mm -125.36 135.32 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 6.1 t0 -126.22 89.84 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -73.08 -22.77 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.3 -50.74 38.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -111.68 -24.36 10.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.54 12.35 41.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.437 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 80.6 t -95.34 155.32 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.417 ' N ' HG12 ' A' ' 33' ' ' VAL . 3.6 p -114.25 143.56 44.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.247 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -139.2 113.27 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.4 p -96.96 151.87 4.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.48 146.59 27.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -157.72 169.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.66 -27.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -141.98 70.63 0.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.46 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 6.2 t -39.27 133.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 41' ' ' SER . 1.6 mtp180 175.52 47.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.493 ' CE1' ' HE3' ' A' ' 68' ' ' LYS . 20.0 m170 -125.63 174.22 8.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.618 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 4.6 mtp180 163.92 133.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.4 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -172.3 163.61 4.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 141.87 27.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 t -69.34 -25.6 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -77.13 -0.57 25.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -127.07 34.8 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 80' ' ' LEU . 67.8 mt -104.02 177.91 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.0 132.8 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 2.9 mt -107.45 140.96 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.77 179.02 22.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.591 ' HG1' ' NE ' ' A' ' 89' ' ' ARG . 84.8 m -120.8 142.36 49.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 110.415 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' NH2' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -104.51 100.36 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.86 -11.31 45.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.58 -40.58 92.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.49 9.28 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 57.44 50.47 11.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -132.38 161.42 33.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -82.03 147.92 28.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 m -131.69 173.7 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.468 ' CD1' HG23 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -130.97 142.58 50.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.413 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 12.9 m-85 -114.23 119.73 38.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.468 HG23 ' CD1' ' A' ' 63' ' ' LEU . 5.3 tt -129.76 140.6 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.61 -85.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . -165.04 28.3 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.493 ' HE3' ' CE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -128.83 165.59 20.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -124.57 142.57 51.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.57 171.44 18.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.556 ' CE1' ' HE2' ' A' ' 23' ' ' MET . 11.6 p80 -98.58 121.9 41.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.468 ' CG2' HG22 ' A' ' 25' ' ' ILE . 2.3 pt -119.98 164.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.5 155.02 19.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 16.2 pt-20 -71.05 -50.05 38.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.454 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 11.4 pt-20 -62.32 -42.37 99.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -31.96 72.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -67.21 -31.56 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -75.85 -44.23 41.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -55.89 -32.04 63.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 50' ' ' LEU . 3.6 mt -58.52 -43.05 89.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.8 t -65.43 -47.13 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.49 -37.24 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.25 75.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.23 42.27 0.24 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.93 155.83 18.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.254 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.423 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -63.39 149.47 45.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -125.17 112.62 16.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.423 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 23.5 mm-40 -122.09 -11.24 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.591 ' NE ' ' HG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER -59.03 -31.09 68.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.43 -61.61 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -76.3 68.51 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.611 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -110.45 111.31 22.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.8 123.76 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -125.88 82.37 2.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -69.03 -54.95 12.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.496 0.189 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.01 120.32 32.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.04 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.425 ' CD1' ' HG ' ' A' ' 80' ' ' LEU . 1.2 pp -72.04 141.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -120.26 164.34 16.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.486 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -130.17 150.0 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 3.2 t0 -129.37 88.96 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -24.3 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.48 -51.3 60.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -107.27 -27.76 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 104.19 9.91 35.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 76.7 t -93.8 165.11 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.503 0.766 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.432 ' SG ' ' CG2' ' A' ' 47' ' ' VAL . 7.9 m -127.58 141.87 51.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 108.276 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 8.8 p -142.23 123.04 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.5 p -97.06 157.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -101.23 147.48 26.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.416 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -161.76 168.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -41.4 -28.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -141.76 61.88 0.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 t -45.84 128.31 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 179.84 48.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.41 179.0 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.63 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.474 ' CG ' HG11 ' A' ' 33' ' ' VAL . 9.9 ttm180 -179.76 127.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -173.05 149.45 1.78 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 142.4 27.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.777 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.486 HG23 ' CD1' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -53.83 -39.39 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -62.37 -12.73 22.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -112.68 25.65 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.95 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 47' ' ' VAL . 50.7 mt -102.23 -178.94 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HA ' ' CB ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -162.51 130.54 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 mt -106.71 140.51 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.65 178.85 20.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.6 m -126.52 139.84 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -103.25 109.32 20.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.3 -10.2 56.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.52 -39.61 94.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.334 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.56 13.39 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 51.27 49.71 20.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.165 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.19 164.31 24.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.6 m -82.94 145.54 29.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 m -125.36 168.36 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -126.53 140.03 52.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 68' ' ' LYS . 18.5 m-85 -120.45 110.87 17.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 tt -120.85 100.29 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 60.72 73.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.38 55.93 14.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -126.45 162.33 25.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -151.19 104.7 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.411 ' CD2' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -148.49 171.34 16.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.415 ' CD2' ' H ' ' A' ' 71' ' ' HIS . 0.2 OUTLIER -108.26 109.0 20.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 109.573 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.1 pt -95.76 165.41 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.74 145.16 35.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -56.57 19.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.81 -42.26 75.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.66 -42.92 85.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.45 70.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -76.7 -39.56 51.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -34.47 77.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.425 ' HG ' ' CD1' ' A' ' 25' ' ' ILE . 13.7 mt -57.2 -45.16 84.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.22 -46.25 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.17 -36.91 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.475 ' CB ' HD12 ' A' ' 27' ' ' ILE . . . -68.21 -32.93 73.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.38 39.62 0.43 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.67 160.92 14.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 0.757 . . . . 0.0 109.313 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.45 ' CB ' ' HA ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -61.97 142.12 57.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -125.05 95.96 4.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -120.02 -10.87 9.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -48.09 -31.16 5.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.43 -51.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.43 -69.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.575 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -169.33 -61.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -178.49 165.53 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -117.06 163.63 15.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -126.8 160.13 31.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.516 0.198 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.3 p -106.87 110.51 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.443 ' CD1' ' HG ' ' A' ' 80' ' ' LEU . 2.1 pp -59.9 143.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.4 tp10 -119.41 163.02 17.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.252 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.4 mm -137.59 148.26 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -131.85 89.75 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 p -73.25 -31.55 64.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.87 -50.22 69.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.94 -20.63 18.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 82.99 35.37 18.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 3.4 t -125.29 164.08 25.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 0.74 . . . . 0.0 109.244 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.506 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.6 p -124.99 141.91 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 5.0 t -139.3 122.91 17.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.4 t -97.03 151.51 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.447 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 4.3 mt-10 -108.75 132.08 54.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 1.9 mt -151.35 86.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 40.92 47.92 2.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.14 52.43 1.48 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -99.99 123.83 44.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -114.05 46.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -179.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.96 122.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.402 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -165.33 163.68 13.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 144.03 29.58 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 110.967 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.3 t -66.9 -27.45 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -75.15 -2.99 30.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 m -115.58 34.93 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.035 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' A' ' 80' ' ' LEU . 83.3 mt -104.2 172.34 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.448 ' CB ' ' HB2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.33 128.8 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 2.9 mt -109.57 141.26 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.0 175.23 26.49 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.531 1.145 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.3 m -139.17 143.17 38.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.381 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.49 116.03 31.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.01 -8.02 45.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -42.9 84.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -134.47 13.11 3.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 55.84 45.52 24.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -118.69 163.41 16.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.1 m -95.19 150.66 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.89 171.13 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -134.92 143.76 47.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.448 ' HB2' ' CB ' ' A' ' 51' ' ' ARG . 52.6 m-85 -119.03 133.16 55.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 16.4 tt -156.33 102.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 5.3 t0 82.41 37.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.38 40.44 99.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.78 173.29 6.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.88 113.36 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.84 171.43 14.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -104.05 124.16 48.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.579 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.571 ' CD1' ' CD1' ' A' ' 80' ' ' LEU . 10.2 pt -115.24 170.69 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.428 ' CB ' ' HB2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -64.8 146.03 55.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.66 -57.12 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.93 -37.44 76.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.428 ' HB2' ' CB ' ' A' ' 73' ' ' SER . 1.0 OUTLIER -68.62 -31.32 70.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.496 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -69.61 -30.17 67.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -76.05 -44.21 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -57.89 -29.66 65.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.571 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 1.3 mt -61.18 -41.65 97.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.2 t -67.54 -48.48 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.0 t -54.84 -37.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.79 -25.94 68.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.56 19.2 5.83 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.418 ' HB2' ' CB ' ' A' ' 50' ' ' LEU . . . -78.97 157.62 28.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.46 149.5 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.498 ' OD1' ' CD1' ' A' ' 92' ' ' LEU . 6.6 t0 -133.6 102.39 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -119.43 -13.63 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.468 ' HD3' ' CG2' ' A' ' 52' ' ' ILE . 29.9 ptt180 -75.93 -21.31 57.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.35 -168.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.526 ' CD2' ' OD1' ' A' ' 95' ' ' ASP . 2.6 t-80 79.61 -71.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.629 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.498 ' CD1' ' OD1' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 50.12 69.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.98 90.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 61.57 120.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.526 ' OD1' ' CD2' ' A' ' 91' ' ' HIS . 3.7 p-10 -116.02 133.99 55.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.458 0.17 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.6 p -114.42 132.57 56.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.452 HD13 ' CB ' ' A' ' 76' ' ' ASP . 0.1 OUTLIER -78.6 143.14 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -114.51 163.74 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 28' ' ' ASP . 27.1 mm -138.3 142.29 35.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -128.62 89.41 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 m -73.89 -45.93 47.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.66 -51.22 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -87.87 -25.01 23.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 77.49 54.67 4.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 2.9 t -147.79 164.39 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.507 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.8 p -117.28 143.12 46.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 108.259 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 85.3 p -146.03 118.42 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.81 150.46 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -108.73 124.78 51.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.2 pp -146.87 86.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 9.2 tp10 67.28 -60.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -126.24 67.92 0.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' GLY . 16.2 t -37.57 135.18 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.53 45.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -100.26 173.11 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -175.16 119.46 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -168.6 159.38 8.47 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.75 20.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.403 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 55.6 t -68.29 -26.44 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -75.8 -1.58 25.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.9 m -126.73 48.27 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.43 HD13 ' CD2' ' A' ' 80' ' ' LEU . 96.5 mt -111.35 164.65 12.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.65 138.73 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 3.4 mt -108.49 142.86 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.81 179.08 16.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.493 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 86.5 m -125.49 142.17 51.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 59' ' ' ARG . 1.0 OUTLIER -110.88 105.5 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.9 -9.59 55.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.31 -36.9 77.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.42 15.05 4.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' ASP . 51.0 mtp180 45.05 48.92 9.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.21 164.13 23.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.6 m -85.3 140.71 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.473 HG23 ' CZ ' ' A' ' 69' ' ' ARG . 3.3 m -119.96 168.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -122.52 138.1 54.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.464 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 4.0 m-85 -119.12 111.47 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 5.7 tt -127.08 112.3 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 3.6 t0 79.56 13.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.6 31.71 20.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.409 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -105.52 172.86 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.473 ' CZ ' HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -137.32 115.92 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.452 HD21 ' CD1' ' A' ' 63' ' ' LEU . 1.2 pt? -136.62 171.35 14.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 2.0 p-80 -110.26 114.91 28.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.55 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 77' ' ' ALA . 4.8 pt -113.64 166.28 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.439 ' CB ' ' HB2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -64.88 144.93 56.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.99 -57.56 9.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.63 -40.61 88.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.452 ' CB ' HD13 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -65.12 -30.49 71.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.494 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -71.08 -30.01 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -77.26 -38.81 50.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -66.58 -32.27 73.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.444 ' CD1' ' HG ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -56.77 -46.63 81.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.472 HG22 ' CD1' ' A' ' 52' ' ' ILE . 3.0 t -66.51 -50.31 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.0 t -51.1 -35.89 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.1 -24.48 67.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 132.49 -4.79 5.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.6 150.76 47.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.426 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.9 OUTLIER -65.44 149.87 49.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -121.05 108.63 14.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.426 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 30.1 mm-40 -121.49 -11.22 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.493 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 0.1 OUTLIER -49.11 -45.26 43.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.46 -56.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.12 167.57 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -81.83 137.54 35.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -51.28 11.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.48 147.66 32.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.49 112.15 14.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.436 ' HG3' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.499 0.19 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -115.41 100.44 8.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 76' ' ' ASP . 1.5 pp -53.04 126.64 9.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 35' ' ' SER . 4.1 tp10 -94.56 164.94 12.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.443 ' CD1' ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -139.14 127.91 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 1.8 t0 -117.07 88.5 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.98 -19.78 60.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.92 -51.2 70.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -99.7 -30.98 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.73 25.78 7.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 94.7 t -118.57 154.92 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.469 ' SG ' ' CG2' ' A' ' 47' ' ' VAL . 52.9 m -127.2 143.84 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.266 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 71.2 m -146.41 129.02 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.6 p -96.88 149.4 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 3.1 pt-20 -109.48 135.54 50.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.464 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 2.0 mt -149.35 88.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 11.8 pt-20 44.49 27.64 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.248 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.58 57.26 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.403 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 43.8 p -39.67 123.8 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.753 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -157.85 48.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.23 175.04 7.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.579 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.79 127.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -163.79 155.53 14.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 144.84 30.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.469 ' CG2' ' SG ' ' A' ' 34' ' ' CYS . 2.7 t -65.54 -25.97 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -78.34 0.55 25.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 m -120.21 35.45 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 75.0 mt -106.85 168.41 9.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.402 ' HA ' ' CB ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -162.09 129.0 3.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.408 ' CD1' HG22 ' A' ' 81' ' ' VAL . 3.2 mt -106.47 141.39 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.41 176.22 21.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -119.85 133.14 55.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.433 ' HB3' ' CD2' ' A' ' 60' ' ' LEU . 32.8 t0 -104.95 96.79 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.94 -12.73 39.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -58.92 -40.81 85.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.35 14.05 4.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 49.16 49.99 18.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -130.29 164.26 25.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.4 p -84.91 139.92 31.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.04 160.85 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -123.55 142.42 51.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.529 ' CD1' ' O ' ' A' ' 68' ' ' LYS . 46.5 m-85 -118.91 129.66 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.509 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 13.9 tt -151.13 104.02 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 1.1 t70 82.68 34.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.6 42.7 97.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.563 1.164 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.529 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -118.66 174.11 6.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.378 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.401 ' NH2' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -151.12 115.42 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.436 ' CD1' ' HG3' ' A' ' 23' ' ' MET . 0.1 OUTLIER -141.01 168.46 19.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.425 ' N ' HD11 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -99.86 108.75 21.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.445 HD11 ' CB ' ' A' ' 77' ' ' ALA . 1.7 pt -102.99 169.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.11 144.91 50.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 9.5 pt-20 -55.72 -46.64 77.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 13.0 pt-20 -63.15 -42.42 99.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.465 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -64.86 -36.2 83.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.445 ' CB ' HD11 ' A' ' 72' ' ' ILE . . . -67.72 -29.72 69.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -77.42 -36.52 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 110.266 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -67.0 -31.85 72.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.465 ' HG ' ' CD1' ' A' ' 25' ' ' ILE . 18.0 mt -61.78 -48.89 78.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.408 HG22 ' CD1' ' A' ' 52' ' ' ILE . 75.6 t -61.64 -51.43 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.0 t -54.16 -36.3 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.464 ' CB ' HG12 ' A' ' 47' ' ' VAL . . . -67.36 -21.97 65.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.23 8.5 8.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -68.49 154.32 42.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -58.18 151.52 18.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -133.05 100.34 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -121.71 -10.75 8.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -49.38 -48.8 46.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 177.89 -59.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 175.32 65.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.3 111.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.97 142.35 30.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -169.88 104.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.57 155.13 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.5 t0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.358 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.3 tpp . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.506 0.193 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.32 135.92 52.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.068 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.464 ' CG2' ' CG2' ' A' ' 72' ' ' ILE . 1.8 pp -78.46 143.02 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.4 tp10 -115.08 163.57 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.4 HD11 ' CB ' ' A' ' 83' ' ' ALA . 7.1 tp -131.45 150.51 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -129.37 91.0 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -56.74 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.26 -51.06 47.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -78.41 -26.25 46.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 73.23 59.17 4.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -158.24 173.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.486 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.4 p -124.69 140.43 52.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 13.0 m -146.57 124.71 12.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.422 ' CG2' HG21 ' A' ' 25' ' ' ILE . 47.3 t -96.82 150.11 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 3.4 pt-20 -106.21 137.33 44.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.44 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 2.2 mt -150.75 92.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 12.4 pt-20 42.88 47.09 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.93 51.76 2.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 t -107.28 113.65 27.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 0.774 . . . . 0.0 109.965 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 ttt-85 -100.03 50.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -178.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.633 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -179.79 125.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -161.67 163.52 19.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.95 28.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.433 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 3.4 t -70.69 -27.78 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -73.48 -4.52 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.0 m -117.54 34.06 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 47' ' ' VAL . 68.3 mt -101.54 171.54 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.6 129.3 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 2.7 mt -108.73 141.11 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.9 179.02 22.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.2 m -131.25 134.91 46.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 59' ' ' ARG . 2.1 t0 -97.15 101.04 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.02 -12.86 42.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -39.73 90.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.12 9.55 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.8 ttt180 54.45 52.12 12.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -130.12 160.82 32.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 p -84.43 141.83 30.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.467 HG22 ' CZ ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -128.23 162.06 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -122.7 139.9 53.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.49 ' CE1' ' NH1' ' A' ' 69' ' ' ARG . 5.1 m-30 -119.18 110.66 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.487 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 13.7 tt -130.68 102.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 5.9 t0 81.79 49.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.26 44.21 43.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 176.45 5.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 109.377 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.49 ' NH1' ' CE1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -150.94 114.66 4.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.32 171.26 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -104.01 120.99 42.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.658 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.464 ' CG2' ' CG2' ' A' ' 25' ' ' ILE . 1.5 pt -119.38 166.4 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.8 t -70.08 154.2 42.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.61 -57.25 7.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.92 -45.02 60.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.35 -26.91 62.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.493 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -72.33 -30.38 64.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.33 -46.24 28.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.69 -30.04 54.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.36 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.454 ' HG ' ' CD1' ' A' ' 25' ' ' ILE . 14.2 mt -60.97 -41.06 95.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.1 t -67.19 -51.95 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.52 -36.83 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.4 ' CB ' HD11 ' A' ' 27' ' ' ILE . . . -62.39 -32.28 73.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.27 38.68 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.57 156.18 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.78 150.13 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.488 ' OD1' ' CD1' ' A' ' 92' ' ' LEU . 8.1 t0 -132.86 99.33 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -120.04 -12.42 9.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -73.32 -22.77 60.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.99 -161.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 65.65 -85.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.571 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.488 ' CD1' ' OD1' ' A' ' 87' ' ' ASP . 0.2 OUTLIER 58.13 75.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.24 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 ptm -41.41 144.2 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -155.28 158.8 39.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 58.05 164.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.9 ttp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.53 0.205 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.8 m -118.54 102.15 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 76' ' ' ASP . 2.8 pp -54.86 124.35 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -103.13 160.95 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.431 ' CG2' HD21 ' A' ' 80' ' ' LEU . 2.0 pp -125.11 156.44 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.3 OUTLIER -132.84 91.56 2.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -73.21 -46.4 50.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.948 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -51.16 66.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -29.88 38.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 81.91 45.47 7.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -144.95 173.82 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 46' ' ' PRO . 1.6 p -127.05 141.17 51.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 108.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 p -147.38 138.24 23.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 p -110.31 151.36 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -110.65 128.01 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.0 OUTLIER -144.17 86.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 68.42 -62.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -119.86 74.33 0.32 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' GLY . 27.4 p -37.93 124.43 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 110.047 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.01 49.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.48 165.83 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -177.82 118.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.506 ' O ' ' CG2' ' A' ' 33' ' ' VAL . . . -150.82 167.82 12.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 18.0 Cg_endo -75.05 144.97 30.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.2 t -85.14 -28.45 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.26 -4.01 33.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 t -118.57 31.73 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.45 HD11 ' CD2' ' A' ' 80' ' ' LEU . 62.5 mt -99.11 175.48 5.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.13 129.4 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.3 mt -105.77 144.34 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.7 175.24 25.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.5 m -123.54 137.23 54.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 110.432 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -106.76 103.46 12.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.18 -11.32 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.64 -40.8 84.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.39 13.46 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 51.89 50.1 19.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.58 164.09 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 p -84.05 149.64 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.935 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.45 HG22 ' CZ ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -129.77 169.14 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.0 142.1 51.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 68' ' ' LYS . 8.6 m-85 -118.98 125.78 50.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 11.3 tt -146.03 109.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 6.2 t0 78.91 22.21 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.28 34.94 44.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -111.31 170.51 8.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.45 ' CZ ' HG22 ' A' ' 62' ' ' VAL . 4.0 tpp85 -137.68 121.14 17.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.31 171.45 14.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.8 p80 -105.45 118.37 36.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.589 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.8 pt -112.65 170.3 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.56 144.94 45.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 12.6 pt-20 -54.53 -48.73 71.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.453 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 13.2 pt-20 -63.69 -41.71 98.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.474 ' HB3' ' CD1' ' A' ' 25' ' ' ILE . 1.0 OUTLIER -65.63 -30.06 70.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.89 -30.0 66.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.462 ' OE1' ' CG2' ' A' ' 82' ' ' VAL . 1.0 OUTLIER -77.0 -41.81 41.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -31.82 71.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 25' ' ' ILE . 23.2 mt -59.98 -44.42 94.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.7 t -64.96 -48.49 83.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.462 ' CG2' ' OE1' ' A' ' 78' ' ' GLN . 49.6 t -58.45 -37.41 63.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.95 -31.73 72.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.07 40.39 0.41 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.32 158.22 16.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 0.73 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.409 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -67.71 144.63 55.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -126.68 108.79 11.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.409 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 15.7 mm-40 -120.85 -12.44 8.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -14.38 62.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER 55.99 -162.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 68.86 -67.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 109.628 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 90' ' ' ARG . 0.2 OUTLIER -41.52 114.5 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.38 138.28 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.29 115.92 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -81.05 168.14 18.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.531 0.205 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.6 t -99.6 142.55 30.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.98 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.473 ' CD1' ' HG ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -90.22 127.74 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.0 tp10 -105.03 162.9 12.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.4 mm -141.94 141.78 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.76 92.26 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -56.51 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -51.09 62.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.9 mp0 -72.64 -29.09 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.83 57.4 3.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -161.3 173.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.5 ' SG ' ' CD2' ' A' ' 50' ' ' LEU . 1.8 p -126.8 143.17 51.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 43.9 p -144.83 121.53 11.17 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.409 ' CG2' HD11 ' A' ' 63' ' ' LEU . 12.0 p -96.95 152.53 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.447 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 2.7 mt-10 -106.57 131.23 53.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 1.9 mt -151.21 86.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' ILE . 7.0 pt-20 38.12 45.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.35 51.73 1.04 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' ARG . 35.6 t -94.95 -65.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 41' ' ' SER . 26.1 mtt-85 38.28 40.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -172.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -154.2 114.13 3.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -149.09 159.56 36.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.55 17.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.562 1.822 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.466 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 3.4 t -60.31 -26.12 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -77.64 -0.35 26.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.6 t -125.45 44.28 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.5 ' CD2' ' SG ' ' A' ' 34' ' ' CYS . 53.8 mt -106.62 169.54 8.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.23 138.19 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 3.3 mt -108.87 144.72 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.23 176.66 18.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.155 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.6 m -131.19 135.03 47.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.448 ' HB3' ' CD2' ' A' ' 60' ' ' LEU . 32.4 t70 -109.32 99.7 8.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.9 -8.78 47.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -69.37 -35.4 75.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.25 15.04 4.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 46.68 49.13 14.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -133.85 164.44 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.5 m -86.73 152.88 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 m -125.02 174.46 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.508 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 3.2 tt -116.38 128.23 55.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.415 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -113.92 111.15 21.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.462 ' CD1' HD22 ' A' ' 50' ' ' LEU . 3.8 tp -121.88 122.97 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.33 -72.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . -170.16 37.67 0.19 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.496 ' CG ' ' N ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -120.66 168.8 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.496 ' N ' ' CG ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -145.45 121.2 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.36 170.6 15.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -94.83 121.66 36.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.457 ' CG2' HG22 ' A' ' 25' ' ' ILE . 1.7 pt -119.35 170.29 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.95 153.8 42.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -57.24 12.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -56.74 -42.59 79.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -35.77 81.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -65.56 -30.81 71.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -77.06 -40.68 45.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -61.55 -34.29 75.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 1.4 mt -53.4 -45.13 69.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.5 ' CG2' ' OD1' ' A' ' 87' ' ' ASP . 3.5 t -68.55 -50.46 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.8 t -51.88 -36.73 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.8 -23.06 67.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.53 9.5 8.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -71.5 158.1 36.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.764 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.415 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -67.27 150.18 49.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.5 ' OD1' ' CG2' ' A' ' 81' ' ' VAL . 2.7 t0 -127.62 106.19 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.415 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 46.8 mm-40 -121.74 -11.47 8.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -35.66 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.02 -61.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -161.85 159.01 26.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.451 ' HG ' ' CG1' ' A' ' 81' ' ' VAL . 0.4 OUTLIER -83.65 140.34 32.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.1 mtt 58.93 111.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.14 109.65 15.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -101.15 115.26 30.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.508 0.194 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.0 p -77.46 141.12 39.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.495 ' CG2' ' CG2' ' A' ' 72' ' ' ILE . 1.2 pp -95.82 141.23 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.7 tp10 -110.29 163.32 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.6 mm -136.66 133.31 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -120.76 88.86 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.43 -42.42 62.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.91 -51.1 31.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -90.08 -23.73 21.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 78.68 38.58 23.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 2.8 t -126.13 164.45 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.507 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.9 p -116.57 142.34 47.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 108.321 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 42.0 m -149.26 119.64 7.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 p -97.95 150.68 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 2.9 mt-10 -106.27 128.99 54.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -153.96 86.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' ILE . 2.8 pt-20 32.03 69.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.45 64.29 1.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 t -114.24 123.9 50.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -124.07 47.38 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -177.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.603 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.8 127.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' O ' ' SG ' ' A' ' 34' ' ' CYS . . . -171.07 170.52 2.84 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 126.95 10.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.454 ' CG2' ' C ' ' A' ' 33' ' ' VAL . 46.1 t -68.92 -20.26 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -79.82 -3.94 49.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 t -127.27 50.01 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.483 HD11 ' CD2' ' A' ' 80' ' ' LEU . 91.7 mt -110.98 176.02 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -161.4 136.96 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 3.6 mt -111.16 144.64 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.49 179.34 18.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 60' ' ' LEU . 15.7 m -143.03 142.33 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.388 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -94.4 111.6 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.23 -7.47 47.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.58 -35.13 65.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.65 13.29 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' ASP . 8.0 mtm180 48.32 45.45 20.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.42 ' O ' ' CG2' ' A' ' 54' ' ' THR . 13.6 mt -113.8 163.1 15.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.43 147.99 23.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.62 172.89 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.431 ' CD1' ' C ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -134.42 143.15 47.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.42 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 14.8 m-85 -119.07 124.53 47.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 67' ' ' GLY . 16.7 tt -130.09 124.61 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.26 -65.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . 177.21 37.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.71 172.52 7.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.68 125.69 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.51 171.83 18.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 130.7 55.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.536 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.495 ' CG2' ' CG2' ' A' ' 25' ' ' ILE . 1.4 pt -120.6 168.93 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.74 145.3 56.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.68 -38.89 79.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -71.41 -39.3 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.407 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 1.8 m-20 -70.99 -28.42 64.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.487 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -71.91 -30.03 64.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.431 ' NE2' ' CD2' ' A' ' 92' ' ' LEU . 3.9 tp60 -77.17 -42.91 35.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -29.78 68.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.483 ' CD2' HD11 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -58.24 -46.46 85.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 84' ' ' GLY . 21.9 t -71.2 -47.62 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 51.2 t -50.57 -35.88 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.99 -29.29 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 143.0 -13.04 2.37 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -56.51 156.61 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.42 152.12 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -132.85 103.94 6.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -122.32 -10.34 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.457 ' HG2' ' CG2' ' A' ' 52' ' ' ILE . 1.4 ptt180 -64.73 -28.09 69.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -149.72 -176.09 5.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -70.89 -40.58 72.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.619 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.431 ' CD2' ' NE2' ' A' ' 78' ' ' GLN . 2.0 tm? 52.12 97.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.9 mtm 62.33 86.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.82 79.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -60.19 -50.85 72.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.4 t0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.512 0.196 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.5 p -98.69 130.99 45.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.474 ' CG2' HG21 ' A' ' 72' ' ' ILE . 0.5 OUTLIER -89.2 140.91 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -130.42 163.35 27.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 47' ' ' VAL . 16.7 mm -135.78 151.02 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.381 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -126.41 90.34 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -35.31 66.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -49.35 -51.07 36.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -96.64 -22.58 16.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 86.91 15.83 62.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.505 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 3.2 t -99.98 164.38 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.505 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 7.2 p -105.04 143.8 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.263 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 12.1 t -143.41 112.77 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.426 HG21 ' N ' ' A' ' 37' ' ' GLU . 15.0 p -115.68 148.45 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.439 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -93.5 139.13 31.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -164.67 169.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 39' ' ' GLU . 2.0 pt-20 -54.71 88.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 92.53 53.89 1.9 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' GLY . 7.8 p -39.45 127.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.787 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -169.46 47.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -117.68 178.58 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.658 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 169.43 129.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.512 ' CB ' ' CD ' ' A' ' 46' ' ' PRO . . . -174.93 -178.65 0.36 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.512 ' CD ' ' CB ' ' A' ' 45' ' ' ALA . 18.2 Cg_endo -75.0 144.3 30.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.456 HG22 ' CD1' ' A' ' 27' ' ' ILE . 2.9 t -79.2 -28.64 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.19 -2.74 29.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.449 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 3.2 t -118.47 40.22 3.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 34' ' ' CYS . 39.5 mt -109.6 156.42 20.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -141.42 149.83 41.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.507 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 3.1 mt -112.92 144.68 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.479 ' C ' ' CG2' ' A' ' 62' ' ' VAL . . . -119.08 174.42 15.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 m -125.05 133.97 52.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' HB3' ' CD2' ' A' ' 60' ' ' LEU . 11.2 t0 -107.5 100.51 9.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.31 -12.86 46.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -58.91 -41.44 87.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.53 13.34 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 51.22 50.57 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.405 ' CD2' ' HB3' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -130.91 163.15 28.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.06 156.83 26.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.479 ' CG2' ' C ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -132.74 179.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.507 ' C ' ' CD2' ' A' ' 63' ' ' LEU . 3.1 tt -111.98 124.89 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -119.13 110.94 17.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.1 tt -131.85 125.65 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 t70 68.75 9.45 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.29 29.64 16.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.4 172.08 7.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.473 ' CZ ' HG22 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -137.6 120.63 16.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.21 169.97 16.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 1.1 t60 -97.52 125.84 42.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.577 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.474 HG21 ' CG2' ' A' ' 25' ' ' ILE . 1.1 pt -128.61 170.04 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.25 149.73 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.039 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.04 -35.54 81.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.26 -37.06 63.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.442 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 1.8 m-20 -72.42 -28.34 62.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.507 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -71.19 -30.58 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -77.05 -43.59 33.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -68.13 -29.61 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 85' ' ' ALA . 0.1 OUTLIER -55.12 -46.35 75.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 52' ' ' ILE . 8.2 t -71.54 -47.93 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.7 t -50.93 -35.74 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.01 -27.67 68.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 138.16 -9.34 3.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -58.5 150.42 22.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.416 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.3 tp10 -70.29 150.84 45.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -123.18 112.99 18.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.416 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 47.7 mm-40 -123.06 -10.93 8.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -30.71 70.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -154.96 -170.36 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 110.254 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 91' ' ' HIS . 48.6 p-80 -103.68 61.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.626 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.69 -53.66 4.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.2 mmt 48.15 97.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 74.39 82.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -53.81 130.79 38.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.535 0.207 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.07 131.63 44.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.643 HD13 ' HG ' ' A' ' 80' ' ' LEU . 1.4 pp -73.66 143.05 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -119.75 162.14 19.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.448 HD11 HD23 ' A' ' 80' ' ' LEU . 12.7 mm -141.36 149.49 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLY . 4.1 t0 -130.14 89.71 2.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 p -72.98 -26.21 61.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -50.8 71.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -99.08 -20.23 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 87.17 18.98 56.68 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.464 1.103 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 3.7 t -102.73 163.34 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.6 p -127.44 142.51 51.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 108.361 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 18.4 t -148.79 128.1 12.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.418 HG21 HD21 ' A' ' 70' ' ' LEU . 10.6 p -99.03 151.16 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -107.36 131.75 53.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.61 HD11 HD22 ' A' ' 70' ' ' LEU . 6.2 mt -148.02 86.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' ILE . 7.3 pt-20 37.48 37.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.78 61.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 t -39.46 124.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 110.018 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -155.6 48.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -122.91 175.35 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.599 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.77 123.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -175.01 166.65 2.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.3 Cg_endo -75.0 142.57 28.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.46 HG22 ' HB3' ' A' ' 34' ' ' CYS . 2.9 t -60.95 -23.36 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -78.38 0.15 26.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.14 34.23 5.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.524 HD13 HD22 ' A' ' 80' ' ' LEU . 76.4 mt -107.1 163.54 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.44 136.73 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.717 ' CD1' HG23 ' A' ' 81' ' ' VAL . 3.5 mt -102.21 140.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.58 179.1 18.1 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.542 1.152 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.502 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 63.7 m -124.66 143.03 50.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.466 ' HB3' HD23 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -115.74 102.76 10.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.91 -10.65 54.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -39.8 92.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.62 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.21 13.48 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 52.11 49.67 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -133.14 163.87 28.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.6 p -85.06 145.26 27.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 m -121.2 171.34 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.933 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.47 145.16 49.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.933 ' N ' HD22 ' A' ' 63' ' ' LEU . 3.8 m-85 -116.88 116.58 27.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.496 ' O ' HG23 ' A' ' 65' ' ' ILE . 4.5 tp -127.85 108.24 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 9.7 t0 81.99 -4.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.5 15.58 12.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 170.28 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 115.63 15.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.61 HD22 HD11 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -136.28 171.22 14.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.45 ' N ' HD12 ' A' ' 70' ' ' LEU . 42.4 p-80 -103.19 115.48 30.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.615 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.589 HD11 ' CB ' ' A' ' 77' ' ' ALA . 1.3 pt -110.82 171.24 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.98 152.79 39.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.64 -57.21 13.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.15 -38.71 80.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.53 -27.95 68.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.589 ' CB ' HD11 ' A' ' 72' ' ' ILE . . . -75.14 -28.1 60.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -43.29 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -66.1 -30.58 71.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.643 ' HG ' HD13 ' A' ' 25' ' ' ILE . 3.7 mt -56.85 -45.58 82.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.717 HG23 ' CD1' ' A' ' 52' ' ' ILE . 18.8 t -69.35 -48.11 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.9 t -52.32 -37.03 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.04 -23.33 67.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.33 2.78 7.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -67.28 155.95 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.58 144.4 55.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.609 ' OD1' HG21 ' A' ' 81' ' ' VAL . 3.0 t0 -116.41 110.38 18.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.42 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 6.0 mm100 -122.54 -10.74 8.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.502 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.774 ' HB3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.532 0.206 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.7 m -100.2 106.37 18.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.8 HD13 ' HG ' ' A' ' 80' ' ' LEU . 2.9 pp -53.05 142.24 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -109.66 164.21 12.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.427 HD11 HG11 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -144.05 139.33 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.4 89.62 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -73.24 -39.92 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.19 -51.02 35.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -90.2 -27.1 19.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.58 23.99 34.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 13.7 t -111.81 161.78 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.97 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.6 p -127.19 142.81 51.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 108.295 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 26.8 t -148.97 135.19 19.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.63 HG22 HG22 ' A' ' 25' ' ' ILE . 71.6 t -98.8 158.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HA ' ' CB ' ' A' ' 41' ' ' SER . 5.4 mt-10 -112.32 133.79 54.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.774 HG23 ' HB3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -162.2 86.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ILE . 11.3 pt-20 35.9 53.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' SER . . . 157.39 -39.12 0.55 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' GLY . 51.6 p 36.39 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.64 49.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.35 179.03 4.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.66 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -178.53 121.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -171.59 167.74 3.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.1 Cg_endo -75.06 141.95 27.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.97 HG22 ' HB3' ' A' ' 34' ' ' CYS . 78.2 t -75.38 -27.27 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -74.63 -3.51 31.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.7 t -118.65 41.53 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.789 HD13 HD22 ' A' ' 80' ' ' LEU . 33.6 mt -103.78 167.84 9.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.32 131.01 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 3.3 mt -109.42 145.06 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.22 178.8 23.68 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.44 ' OG1' ' NE ' ' A' ' 89' ' ' ARG . 89.3 m -118.91 137.44 53.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.499 ' OD2' ' CZ ' ' A' ' 69' ' ' ARG . 0.5 OUTLIER -101.93 99.16 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.43 -14.25 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.88 -41.13 86.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.28 9.72 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.3 OUTLIER 55.38 51.48 12.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -131.22 162.74 29.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -82.8 136.84 34.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.482 HG13 ' HB2' ' A' ' 55' ' ' ASP . 14.8 m -120.9 164.35 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.734 ' C ' HD13 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -123.03 143.16 50.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.731 ' H ' HD22 ' A' ' 63' ' ' LEU . 17.9 m-85 -118.72 126.53 52.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.506 HD11 ' HB3' ' A' ' 45' ' ' ALA . 12.1 tt -147.28 112.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 0.8 OUTLIER 77.72 10.99 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.5 41.75 5.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HG2' HG23 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -116.1 171.78 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.499 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 0.3 OUTLIER -143.61 111.72 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.74 171.51 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -102.95 122.22 44.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.593 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.613 HG21 HG21 ' A' ' 25' ' ' ILE . 3.3 pt -119.12 163.74 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.04 149.78 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 75' ' ' GLU . 0.2 OUTLIER -66.85 -38.48 86.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 74' ' ' GLU . 4.2 tp10 -71.4 -37.72 71.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -70.86 -32.45 69.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.503 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -65.41 -32.61 74.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.29 -43.22 33.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -66.17 -31.02 71.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.8 ' HG ' HD13 ' A' ' 25' ' ' ILE . 1.1 mt -62.61 -48.33 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.7 t -61.94 -51.6 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.3 t -51.36 -35.42 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -63.92 -25.27 68.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 135.39 -6.85 4.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.03 152.72 31.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.449 ' O ' HG22 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -68.42 154.82 41.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -125.84 107.13 10.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.42 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 6.9 mm100 -121.92 -10.22 8.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.44 ' NE ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 3.0 mpp? . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.467 0.175 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.6 p -59.09 114.11 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.88 HD13 ' HG ' ' A' ' 80' ' ' LEU . 2.7 pp -59.16 143.15 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -124.18 164.19 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.425 HD13 ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -135.6 142.2 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -130.06 88.88 2.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.4 t -73.22 -43.72 60.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -38.9 26.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -97.95 -27.49 14.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 82.64 37.9 13.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.684 ' C ' HG23 ' A' ' 47' ' ' VAL . 2.6 t -135.43 164.27 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.855 ' HB3' HG22 ' A' ' 47' ' ' VAL . 5.0 p -118.27 143.47 46.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 108.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 13.4 m -148.75 122.85 9.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.403 HG12 ' CG ' ' A' ' 43' ' ' HIS . 7.2 p -97.24 154.61 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.461 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -80.86 142.98 33.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.592 HD12 ' H ' ' A' ' 42' ' ' ARG . 1.8 mt -151.61 169.72 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.457 ' H ' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -40.22 -29.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 41' ' ' SER . . . -146.97 25.43 1.61 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.433 1.083 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 40' ' ' GLY . 34.5 p 35.81 89.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.969 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.592 ' H ' HD12 ' A' ' 38' ' ' ILE . 6.3 tpp180 -132.04 59.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.553 ' ND1' HD11 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -130.9 173.0 11.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.552 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 165.56 131.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -175.2 171.44 1.25 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.699 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.3 Cg_endo -75.04 131.69 14.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.802 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.855 HG22 ' HB3' ' A' ' 34' ' ' CYS . 25.0 t -70.21 -27.54 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -75.94 -2.37 30.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.426 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 1.6 t -121.7 45.27 2.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.79 HD13 HD22 ' A' ' 80' ' ' LEU . 83.1 mt -106.99 167.84 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.5 137.37 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.677 ' CD1' HG23 ' A' ' 81' ' ' VAL . 3.6 mt -111.04 141.52 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.37 173.7 21.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.2 m -120.91 134.87 55.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -96.57 98.05 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.66 -12.49 46.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.14 -39.13 91.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.19 9.61 4.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' ASP . 3.6 ttt-85 54.62 51.86 13.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.4 mt -130.19 161.05 32.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -82.92 144.41 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.462 HG11 ' HD3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -131.08 168.1 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -122.7 142.23 50.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.871 ' N ' HD22 ' A' ' 63' ' ' LEU . 2.5 m-85 -118.82 126.38 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.417 HD11 ' HB3' ' A' ' 45' ' ' ALA . 11.1 tt -148.67 115.14 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 4.4 t70 75.18 19.72 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.56 36.85 28.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.521 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -111.4 171.83 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.462 ' HD3' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -146.0 109.07 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.521 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -135.15 171.34 14.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -100.86 112.73 25.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.479 HG21 HG21 ' A' ' 25' ' ' ILE . 2.9 pt -112.53 165.33 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.79 146.8 40.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -57.36 8.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -53.06 -43.03 66.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.456 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -66.32 -42.54 88.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.163 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.496 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -57.25 -33.59 67.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.19 -38.68 51.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.04 -31.79 71.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.88 ' HG ' HD13 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -60.93 -50.07 74.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 1.007 HG21 ' OD2' ' A' ' 87' ' ' ASP . 2.5 t -59.44 -53.15 52.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.9 t -51.27 -35.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -64.12 -26.8 68.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 140.87 -11.27 2.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 81' ' ' VAL . . . -60.08 150.93 27.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.673 ' O ' HG22 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -65.64 155.19 36.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 1.007 ' OD2' HG21 ' A' ' 81' ' ' VAL . 2.5 t70 -129.25 112.87 14.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.417 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 29.4 mm-40 -123.58 -10.58 7.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.405 ' HG2' HG23 ' A' ' 38' ' ' ILE . 11.0 mtm . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.461 0.172 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.432 ' C ' HG23 ' A' ' 36' ' ' VAL . 1.7 m -88.16 127.09 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.034 HD13 HD11 ' A' ' 80' ' ' LEU . 2.3 pp -86.61 134.21 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -107.54 164.35 12.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.874 HD11 HG21 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -130.9 136.55 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.632 ' H ' HD13 ' A' ' 27' ' ' ILE . 5.4 t0 -124.33 89.05 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -72.99 -24.96 60.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -51.03 65.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.39 -23.57 13.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 90.33 44.08 4.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' ASP . 53.8 t -136.83 159.29 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 0.727 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' ' 50' ' ' LEU . 2.1 p -116.9 143.1 46.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.308 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -139.36 114.49 9.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.432 HG23 ' C ' ' A' ' 24' ' ' SER . 7.2 p -96.84 152.8 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.65 148.23 25.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -160.47 169.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -41.05 -28.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -141.72 71.38 0.41 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 83.2 p -39.44 143.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 110.006 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.6 OUTLIER 162.93 44.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 167.14 12.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.612 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 171.87 132.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.28 159.51 10.51 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 125.74 9.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.874 HG21 HD11 ' A' ' 27' ' ' ILE . 39.7 t -57.88 -26.35 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -76.09 -1.92 28.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -125.15 33.26 5.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.491 HD11 ' SG ' ' A' ' 34' ' ' CYS . 61.2 mt -101.45 176.89 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HA ' ' CB ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -161.86 129.85 4.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 mt -106.83 138.37 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.44 179.11 17.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.3 m -122.23 133.63 54.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 110.394 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.801 ' HB3' HD23 ' A' ' 60' ' ' LEU . 17.3 t70 -105.62 96.38 6.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.83 -12.71 38.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.89 -40.03 83.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.63 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.25 14.02 4.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.66 50.12 19.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.32 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.801 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -132.77 163.17 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.409 ' OG ' ' NE ' ' A' ' 89' ' ' ARG . 5.9 m -88.78 139.67 30.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.4 m -120.04 156.08 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.886 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -115.54 143.85 44.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.886 ' N ' HD22 ' A' ' 63' ' ' LEU . 10.0 m-85 -119.01 128.95 54.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 8.2 tt -146.58 106.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 4.9 t0 81.58 18.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.86 40.03 12.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.59 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -115.56 170.97 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.72 111.24 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.59 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -141.14 171.46 14.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.509 ' N ' HD12 ' A' ' 70' ' ' LEU . 64.6 m-70 -97.4 114.07 25.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.593 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.437 HG21 HG21 ' A' ' 25' ' ' ILE . 3.4 pt -110.42 164.14 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.84 145.56 54.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -56.52 18.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.53 -42.73 67.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.473 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -63.21 -45.32 92.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.24 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -77.12 -38.05 52.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -63.6 -34.16 77.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.034 HD11 HD13 ' A' ' 25' ' ' ILE . 75.0 mt -62.27 -49.5 75.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 t -54.49 -56.77 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.5 t -54.45 -36.7 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.43 ' CB ' HG11 ' A' ' 47' ' ' VAL . . . -64.82 -32.96 74.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.23 42.35 0.22 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.86 157.04 18.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.1 tp10 -63.8 152.77 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -132.42 107.01 8.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 16.6 mm-40 -120.85 -11.88 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' NE ' ' OG ' ' A' ' 61' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.43 ' HG2' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.513 0.197 . . . . 0.0 111.011 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.7 p -118.76 97.87 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.61 HG22 ' CG2' ' A' ' 36' ' ' VAL . 2.6 pp -53.03 130.33 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.63 164.67 12.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 27' ' ' ILE . 2.5 pp -133.98 156.76 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.6 t70 -130.84 90.07 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 p -72.32 -8.77 56.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.19 -50.42 19.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -101.42 -23.04 14.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.47 22.29 27.07 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' ASP . 39.7 t -112.1 160.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.453 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.8 p -118.74 143.22 47.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.312 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 p -137.89 121.43 17.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.61 ' CG2' HG22 ' A' ' 25' ' ' ILE . 8.7 p -97.44 150.99 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.56 133.38 55.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -149.82 86.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' ILE . 16.5 pt-20 37.81 31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 154.56 62.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 p -39.29 125.56 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 109.949 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -166.21 48.36 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -132.18 173.17 11.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 175.0 129.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.571 ' HB3' HD11 ' A' ' 65' ' ' ILE . . . -158.92 165.72 17.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.547 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.5 Cg_endo -75.0 128.08 11.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.576 HG12 ' C ' ' A' ' 84' ' ' GLY . 55.7 t -63.63 -27.51 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -73.63 -4.3 33.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 t -116.72 34.37 5.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.975 HD13 HD22 ' A' ' 80' ' ' LEU . 80.2 mt -105.89 169.43 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.81 128.81 3.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.63 143.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.08 174.96 26.69 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.498 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 84.8 m -119.42 136.92 54.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -107.04 106.24 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -10.51 51.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.78 -40.71 89.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.58 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.48 13.81 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 49.61 50.04 18.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -133.26 164.05 27.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -88.15 142.11 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.7 m -126.36 162.51 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.888 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -121.83 143.02 49.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.888 ' N ' HD22 ' A' ' 63' ' ' LEU . 81.7 m-85 -119.26 122.74 42.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.579 HG22 HD11 ' A' ' 63' ' ' LEU . 12.2 tt -151.14 127.93 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.95 43.69 17.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 53.21 48.61 58.8 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.6 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -122.67 171.67 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -148.31 112.12 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.6 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -142.45 171.27 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.45 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -107.21 112.44 25.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.595 HG21 HG12 ' A' ' 25' ' ' ILE . 1.3 pt -103.13 171.12 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.1 163.02 28.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -57.09 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -58.08 -38.77 77.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.38 -37.29 86.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.559 ' HB2' HD11 ' A' ' 72' ' ' ILE . . . -70.32 -27.33 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -77.16 -34.77 56.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -67.75 -30.57 70.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.975 HD22 HD13 ' A' ' 50' ' ' LEU . 44.8 mt -60.48 -47.3 86.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.7 t -65.17 -50.94 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.83 -37.45 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.36 -33.11 75.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.576 ' C ' HG12 ' A' ' 47' ' ' VAL . . . 129.26 43.24 0.22 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.532 ' HB3' ' C ' ' A' ' 80' ' ' LEU . . . -110.28 156.59 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.72 149.88 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -127.53 106.56 9.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -121.36 -11.36 8.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.498 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.485 ' HG2' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.481 0.181 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.92 107.29 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.767 HD13 HD21 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -63.09 139.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.89 161.3 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.566 HD11 HD23 ' A' ' 80' ' ' LEU . 10.3 mm -135.13 131.74 52.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 6.3 t0 -121.32 89.75 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -34.94 65.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -48.89 -51.14 31.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -96.98 -27.14 14.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 91.3 26.37 21.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 34.8 t -117.6 159.24 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.605 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.7 p -124.75 143.0 51.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 108.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.9 p -142.46 116.69 9.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.404 HG23 ' HA ' ' A' ' 25' ' ' ILE . 11.6 p -97.25 148.61 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 3.2 pt-20 -111.87 131.36 55.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.425 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 3.7 mt -149.98 86.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 38' ' ' ILE . 1.9 mm-40 79.4 24.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.66 40.52 5.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -99.65 98.0 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -81.37 54.52 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -176.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.544 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.26 124.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -157.18 160.01 30.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.29 20.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.683 HG13 HD12 ' A' ' 50' ' ' LEU . 79.3 t -63.36 -24.57 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -73.54 -5.25 38.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.7 t -120.28 42.64 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.861 HD13 HD22 ' A' ' 80' ' ' LEU . 87.0 mt -107.72 169.84 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.62 134.14 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.422 HD11 ' O ' ' A' ' 77' ' ' ALA . 3.2 mt -107.05 142.85 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.07 178.94 19.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.5 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 42.0 m -126.94 139.02 53.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ARG . 3.4 t0 -102.74 100.13 10.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.8 -13.4 55.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -40.87 91.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.37 10.59 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 54.7 50.9 14.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.4 mt -129.94 162.84 27.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.6 p -80.27 145.04 32.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.48 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 1.4 m -127.3 169.21 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.98 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -117.32 137.11 52.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.98 ' N ' HD22 ' A' ' 63' ' ' LEU . 2.7 m-85 -120.0 115.73 24.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.453 HG22 HD11 ' A' ' 63' ' ' LEU . 12.4 tt -137.01 100.52 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.17 73.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.24 57.86 7.71 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -129.87 159.07 37.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -151.89 105.47 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.54 ' CD2' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -143.97 171.36 14.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -104.28 127.13 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.655 HG21 ' CG2' ' A' ' 25' ' ' ILE . 1.4 pt -118.23 171.22 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.38 145.76 54.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 9.2 pt-20 -59.57 -45.0 93.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 1.8 tp10 -68.93 -36.76 78.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.58 -27.02 62.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -74.72 -28.76 60.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.08 -42.98 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -59.29 -35.43 73.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.861 HD22 HD13 ' A' ' 50' ' ' LEU . 37.0 mt -54.77 -45.74 74.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.49 HG11 ' OD2' ' A' ' 87' ' ' ASP . 46.3 t -65.76 -48.82 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.35 -37.06 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.578 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -66.19 -23.4 66.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.97 15.79 6.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.532 ' HB3' ' C ' ' A' ' 80' ' ' LEU . . . -77.02 155.26 32.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.12 144.3 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.49 ' OD2' HG11 ' A' ' 81' ' ' VAL . 2.5 t0 -121.67 116.31 24.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -123.84 -10.45 7.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.5 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 2.6 mmm180 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.548 0.213 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.6 p -98.51 107.09 19.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.627 HD13 ' CG ' ' A' ' 80' ' ' LEU . 2.7 pp -60.32 142.68 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -105.5 164.9 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.624 HD11 HG21 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -138.97 132.87 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.507 ' H ' HD13 ' A' ' 27' ' ' ILE . 1.2 t70 -123.35 88.61 2.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.88 -29.95 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -49.6 -51.3 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -103.08 -26.79 12.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 96.23 17.89 32.99 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 45' ' ' ALA . 86.5 t -98.3 154.15 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.486 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.6 p -121.59 141.76 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 26.5 m -146.38 130.98 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.506 HG23 HG22 ' A' ' 25' ' ' ILE . 12.5 p -100.34 150.01 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -111.39 131.02 55.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -148.5 86.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 68.42 -63.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -124.3 70.27 0.46 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' GLY . 39.2 p -37.89 127.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 0.764 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -166.38 47.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.426 ' NE2' HD11 ' A' ' 38' ' ' ILE . 91.9 m-70 -123.27 173.22 8.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.589 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.22 123.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.496 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -163.22 163.72 16.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.473 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.1 Cg_endo -75.06 150.19 37.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.624 HG21 HD11 ' A' ' 27' ' ' ILE . 2.4 t -77.25 -28.8 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -73.05 -5.07 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.0 t -116.55 32.18 6.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.508 HD13 HD22 ' A' ' 80' ' ' LEU . 51.9 mt -100.53 170.48 8.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.98 135.28 6.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 77' ' ' ALA . 3.4 mt -106.1 138.54 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.25 178.74 19.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.501 ' OG1' ' CG ' ' A' ' 89' ' ' ARG . 86.3 m -123.05 143.22 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 110.363 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.456 ' HB2' HG13 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -108.12 100.77 10.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.5 -13.22 38.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.83 -41.37 86.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.38 9.21 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' ASP . 11.1 mtm180 56.67 50.47 12.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.0 mt -132.0 161.78 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -78.56 142.42 37.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 1.7 m -121.12 172.91 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.991 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -124.64 139.8 53.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.991 ' N ' HD22 ' A' ' 63' ' ' LEU . 4.3 m-85 -120.03 115.28 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.51 ' O ' HG23 ' A' ' 65' ' ' ILE . 14.1 tt -133.26 100.6 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.82 68.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 52.51 57.13 14.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -128.47 160.39 32.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.436 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -151.6 105.5 3.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER -145.86 171.59 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.47 123.99 47.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.557 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.52 HG21 HG21 ' A' ' 25' ' ' ILE . 3.3 pt -118.25 170.99 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 146.22 55.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.49 -57.15 13.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.14 -42.31 69.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.466 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -64.17 -43.69 94.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.492 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -60.28 -31.08 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -76.06 -38.79 56.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -30.57 71.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.627 ' CG ' HD13 ' A' ' 25' ' ' ILE . 44.3 mt -63.47 -47.72 80.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.535 HG21 ' CG ' ' A' ' 87' ' ' ASP . 2.3 t -60.07 -54.52 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.8 t -54.29 -36.84 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 27' ' ' ILE . . . -63.48 -32.57 74.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.57 42.03 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.94 159.18 17.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.3 tp10 -69.18 142.63 54.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.535 ' CG ' HG21 ' A' ' 81' ' ' VAL . 3.0 t0 -121.81 117.57 26.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.422 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 30.3 mm-40 -122.04 -11.26 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.501 ' CG ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.467 ' HG2' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.463 0.173 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.4 99.78 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.696 HD13 HD11 ' A' ' 80' ' ' LEU . 2.6 pp -60.92 133.37 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.54 163.26 14.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 27' ' ' ILE . 2.5 pp -138.91 156.49 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.4 t0 -134.97 92.34 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -28.52 62.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.87 -49.97 64.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -99.84 -30.48 12.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 101.27 15.46 27.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' ASP . 79.0 t -105.66 155.52 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 p -126.27 142.18 51.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 p -144.78 131.95 20.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -100.57 156.42 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 41' ' ' SER . 2.1 pt-20 -115.63 132.8 56.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -141.69 87.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 9.9 pt-20 44.95 25.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . 156.52 59.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 12.0 p -38.27 135.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.68 44.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -120.18 -177.85 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.656 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.75 127.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.686 ' HB3' HD11 ' A' ' 65' ' ' ILE . . . -158.9 159.26 29.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.69 16.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.517 HG13 HD12 ' A' ' 50' ' ' LEU . 41.9 t -62.17 -27.03 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -75.1 -2.89 29.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.5 t -116.43 35.57 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.672 HD13 HD22 ' A' ' 80' ' ' LEU . 52.0 mt -105.08 165.58 10.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.47 131.71 4.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.725 HG22 ' HB3' ' A' ' 89' ' ' ARG . 3.2 mt -106.28 141.7 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.16 170.74 26.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.6 m -123.06 136.07 54.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -97.34 103.17 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.78 -11.49 46.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.244 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -38.7 92.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.2 9.57 4.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' ASP . 4.5 mtp180 53.83 52.4 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -130.31 161.51 31.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -87.72 139.96 30.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.58 172.59 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.782 ' C ' HD13 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -133.99 143.71 48.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.781 ' H ' HD22 ' A' ' 63' ' ' LEU . 13.2 m-85 -119.11 135.02 54.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.686 HD11 ' HB3' ' A' ' 45' ' ' ALA . 16.8 tt -157.35 105.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 2.1 t70 79.01 32.67 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.07 44.18 78.31 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.534 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -116.26 172.15 7.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.426 ' NE ' ' OD2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -151.25 109.89 3.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.499 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -144.69 170.9 15.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.42 ' N ' HD12 ' A' ' 70' ' ' LEU . 14.1 m-70 -99.74 120.95 40.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.515 HG21 HG21 ' A' ' 25' ' ' ILE . 13.0 pt -112.52 166.48 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.69 151.03 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.05 -56.96 15.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.03 -43.31 77.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.495 ' HB3' HD11 ' A' ' 25' ' ' ILE . 4.1 m-20 -62.47 -37.14 84.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.495 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -64.67 -30.62 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -77.03 -41.88 40.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -29.13 70.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.696 HD11 HD13 ' A' ' 25' ' ' ILE . 14.7 mt -61.75 -42.44 98.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.726 HG21 ' OD2' ' A' ' 87' ' ' ASP . 79.4 t -69.11 -46.5 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.3 t -56.91 -37.46 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.3 -32.99 74.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.03 40.74 0.3 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -101.65 158.58 15.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.25 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.59 148.53 46.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.726 ' OD2' HG21 ' A' ' 81' ' ' VAL . 1.8 t0 -129.53 102.52 6.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -121.83 -11.03 8.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.725 ' HB3' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.514 0.197 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.4 p -93.68 124.82 37.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.788 HD13 ' HG ' ' A' ' 80' ' ' LEU . 2.4 pp -70.23 143.23 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.84 164.11 18.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.952 HD13 ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -139.18 150.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.952 ' N ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -131.57 92.46 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -31.36 63.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.9 -51.16 66.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -94.85 -24.64 16.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 86.39 23.89 41.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 4.7 t -110.82 164.1 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.45 0.735 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.655 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.7 p -119.41 142.71 47.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 t -146.03 117.23 7.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.042 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.564 HG23 HG22 ' A' ' 25' ' ' ILE . 9.7 p -97.22 151.01 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -92.33 145.87 24.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.415 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -162.02 168.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -46.91 -24.67 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 41' ' ' SER . . . -141.3 60.5 0.55 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' GLY . 27.8 t -39.27 127.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.19 48.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.39 176.74 4.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.21 126.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.682 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -173.82 171.38 1.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.682 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.3 Cg_endo -75.02 139.63 24.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.655 HG22 ' HB3' ' A' ' 34' ' ' CYS . 90.6 t -75.35 -25.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -75.4 -2.9 30.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.1 m -116.68 37.86 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.843 HD13 HD22 ' A' ' 80' ' ' LEU . 45.3 mt -103.84 170.25 8.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -161.76 138.14 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.705 ' CD1' HG23 ' A' ' 81' ' ' VAL . 2.9 mt -104.27 140.52 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.476 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -139.13 176.15 21.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.4 m -130.17 143.33 50.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.8 OUTLIER -105.33 104.57 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.04 -13.41 35.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.5 -40.28 86.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.22 9.47 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' ASP . 2.0 mtt-85 54.47 51.82 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -130.25 159.48 36.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.7 m -84.57 143.48 29.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.694 HG11 ' HD3' ' A' ' 69' ' ' ARG . 3.3 m -127.02 179.01 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.738 HD22 ' H ' ' A' ' 64' ' ' TYR . 1.5 tm? -122.66 142.28 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.738 ' H ' HD22 ' A' ' 63' ' ' LEU . 1.6 m-85 -119.07 123.67 45.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.47 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 17.5 tt -148.79 109.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 9.3 t0 80.2 17.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.07 34.17 24.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.453 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -109.19 171.59 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.694 ' HD3' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -143.96 108.32 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.424 ' CD2' ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -130.59 171.54 12.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -100.42 123.87 45.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.563 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.538 HD13 ' HB2' ' A' ' 63' ' ' LEU . 5.2 pt -123.01 165.12 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.96 146.65 53.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 13.7 pt-20 -63.75 -47.53 80.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 5.8 tt0 -64.17 -37.92 89.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -41.19 77.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.527 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -56.91 -35.27 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -77.75 -37.62 48.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -68.45 -31.81 71.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.843 HD22 HD13 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -63.31 -51.83 64.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.705 HG23 ' CD1' ' A' ' 52' ' ' ILE . 2.2 t -55.36 -54.68 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.6 t -51.16 -34.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -64.01 -27.45 69.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.28 -11.84 2.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' A' ' 81' ' ' VAL . . . -57.02 149.03 19.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -69.21 148.22 50.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -128.09 112.41 14.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 31.1 mm-40 -121.0 -11.9 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.476 ' HD3' ' CA ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.533 0.206 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.3 p -72.33 140.61 48.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.716 ' C ' HD12 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -84.91 143.02 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.608 ' N ' HD12 ' A' ' 25' ' ' ILE . 1.4 tp10 -122.58 162.69 21.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.6 HG21 ' HB1' ' A' ' 83' ' ' ALA . 15.7 mm -143.57 144.31 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLY . 1.4 t0 -128.86 90.84 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 t -73.3 -32.09 64.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -49.96 -49.92 48.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -100.76 -22.81 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 88.77 24.7 31.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 23.2 t -108.57 160.56 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.841 ' SG ' HD21 ' A' ' 50' ' ' LEU . 1.7 p -126.41 142.25 51.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -149.01 128.51 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.4 p -97.1 151.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.28 144.55 27.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.402 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -157.15 169.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -42.46 -27.82 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -143.12 70.83 0.4 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 40' ' ' GLY . 12.5 t -39.29 125.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.038 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.38 48.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.67 177.55 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.635 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.39 125.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.262 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.638 ' HB3' HD11 ' A' ' 65' ' ' ILE . . . -170.3 162.97 6.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.4 Cg_endo -75.01 142.15 27.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.726 HG22 ' HB3' ' A' ' 34' ' ' CYS . 4.8 t -74.05 -24.5 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.81 -1.66 29.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 t -126.53 48.23 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.841 HD21 ' SG ' ' A' ' 34' ' ' CYS . 98.8 mt -111.17 164.44 12.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -161.75 138.23 8.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.619 ' CD1' HG23 ' A' ' 81' ' ' VAL . 3.0 mt -100.77 140.2 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.99 173.47 14.74 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -120.45 134.3 55.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 110.415 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.612 ' HB3' HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -104.39 96.15 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.98 -12.42 49.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -39.56 94.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.592 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.36 12.97 4.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.3 ttt180 50.77 49.76 20.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.612 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -130.51 163.55 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.43 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 7.9 m -80.41 145.34 32.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -125.95 174.3 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.718 ' C ' HD23 ' A' ' 63' ' ' LEU . 3.3 tt -106.47 125.44 51.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.682 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -116.75 120.93 40.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.638 HD11 ' HB3' ' A' ' 45' ' ' ALA . 13.5 tt -146.35 129.89 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.88 15.65 7.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.99 40.9 8.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.27 169.72 8.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 0.739 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.466 ' C ' ' CD ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -138.56 120.28 15.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.492 HD21 HD13 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -138.75 171.35 14.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.417 ' O ' HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -101.25 123.69 45.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.585 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.489 HG21 HG22 ' A' ' 25' ' ' ILE . 4.2 pt -126.46 170.98 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -77.57 146.62 36.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.0 -57.03 12.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.02 -42.16 93.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 25' ' ' ILE . 1.4 t0 -66.42 -27.09 67.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -74.21 -29.07 61.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -75.97 -45.13 36.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -32.93 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.646 ' HG ' HD13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -53.75 -44.57 70.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.717 HG21 ' CG ' ' A' ' 87' ' ' ASP . 3.5 t -72.06 -49.65 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.0 t -51.39 -35.88 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.6 ' HB1' HG21 ' A' ' 27' ' ' ILE . . . -62.52 -23.97 67.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 128.79 -0.63 6.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -70.14 153.73 42.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.94 150.95 46.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.717 ' CG ' HG21 ' A' ' 81' ' ' VAL . 3.7 t0 -122.44 115.08 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -123.36 -10.96 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.43 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.7 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.5 p -101.14 103.28 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.652 ' C ' HD12 ' A' ' 25' ' ' ILE . 1.6 pp -53.25 143.03 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -113.82 161.42 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 27' ' ' ILE . 22.2 mm -125.36 135.32 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 6.1 t0 -126.22 89.84 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -73.08 -22.77 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.3 -50.74 38.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -111.68 -24.36 10.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.54 12.35 41.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 45' ' ' ALA . 80.6 t -95.34 155.32 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.592 ' SG ' HD11 ' A' ' 50' ' ' LEU . 3.6 p -114.25 143.56 44.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.247 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -139.2 113.27 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.455 ' CG2' HG22 ' A' ' 25' ' ' ILE . 9.4 p -96.96 151.87 4.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.48 146.59 27.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -157.72 169.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.66 -27.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -141.98 70.63 0.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.46 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 6.2 t -39.27 133.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 41' ' ' SER . 1.6 mtp180 175.52 47.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.493 ' CE1' ' HE3' ' A' ' 68' ' ' LYS . 20.0 m170 -125.63 174.22 8.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.618 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 4.6 mtp180 163.92 133.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.471 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -172.3 163.61 4.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.4 Cg_endo -74.97 141.87 27.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 t -69.34 -25.6 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -77.13 -0.57 25.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -127.07 34.8 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.835 HD13 HD22 ' A' ' 80' ' ' LEU . 67.8 mt -104.02 177.91 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.0 132.8 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.59 HD12 HG23 ' A' ' 81' ' ' VAL . 2.9 mt -107.45 140.96 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.77 179.02 22.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 84.8 m -120.8 142.36 49.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 110.415 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' NH2' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -104.51 100.36 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.86 -11.31 45.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.58 -40.58 92.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.49 9.28 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 57.44 50.47 11.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -132.38 161.42 33.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -82.03 147.92 28.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 m -131.69 173.7 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.876 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -130.97 142.58 50.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.876 ' N ' HD22 ' A' ' 63' ' ' LEU . 12.9 m-85 -114.23 119.73 38.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.762 HG23 ' CE ' ' A' ' 68' ' ' LYS . 5.3 tt -129.76 140.6 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.61 -85.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . -165.04 28.3 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.762 ' CE ' HG23 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -128.83 165.59 20.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -124.57 142.57 51.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.57 171.44 18.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -98.58 121.9 41.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.54 HG21 HG21 ' A' ' 25' ' ' ILE . 2.3 pt -119.98 164.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.5 155.02 19.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 16.2 pt-20 -71.05 -50.05 38.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.454 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 11.4 pt-20 -62.32 -42.37 99.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -31.96 72.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -67.21 -31.56 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -75.85 -44.23 41.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -55.89 -32.04 63.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.835 HD22 HD13 ' A' ' 50' ' ' LEU . 3.6 mt -58.52 -43.05 89.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.59 HG23 HD12 ' A' ' 52' ' ' ILE . 42.8 t -65.43 -47.13 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.49 -37.24 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.25 75.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.23 42.27 0.24 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.411 ' HB3' ' C ' ' A' ' 80' ' ' LEU . . . -105.93 155.83 18.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.423 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -63.39 149.47 45.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -125.17 112.62 16.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.423 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 23.5 mm-40 -122.09 -11.24 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.413 ' HG2' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.496 0.189 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.01 120.32 32.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.04 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.736 HG21 HD13 ' A' ' 72' ' ' ILE . 1.2 pp -72.04 141.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -120.26 164.34 16.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.49 HD11 ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -130.17 150.0 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 3.2 t0 -129.37 88.96 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -24.3 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.48 -51.3 60.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -107.27 -27.76 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 104.19 9.91 35.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 76.7 t -93.8 165.11 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.503 0.766 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.68 ' SG ' HG23 ' A' ' 47' ' ' VAL . 7.9 m -127.58 141.87 51.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 108.276 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 8.8 p -142.23 123.04 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.5 p -97.06 157.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -101.23 147.48 26.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.416 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -161.76 168.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -41.4 -28.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -141.76 61.88 0.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 t -45.84 128.31 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 179.84 48.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.41 179.0 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.63 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.496 ' CG ' HG11 ' A' ' 33' ' ' VAL . 9.9 ttm180 -179.76 127.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -173.05 149.45 1.78 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 142.4 27.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.777 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.68 HG23 ' SG ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -53.83 -39.39 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -62.37 -12.73 22.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -112.68 25.65 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.95 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.534 HD12 ' CG2' ' A' ' 47' ' ' VAL . 50.7 mt -102.23 -178.94 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.445 ' HA ' ' CB ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -162.51 130.54 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.738 HD12 HG23 ' A' ' 81' ' ' VAL . 3.2 mt -106.71 140.51 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.65 178.85 20.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.6 m -126.52 139.84 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -103.25 109.32 20.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.3 -10.2 56.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.52 -39.61 94.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.334 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.615 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.56 13.39 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 51.27 49.71 20.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.165 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -130.19 164.31 24.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.6 m -82.94 145.54 29.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 m -125.36 168.36 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.992 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -126.53 140.03 52.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.992 ' N ' HD22 ' A' ' 63' ' ' LEU . 18.5 m-85 -120.45 110.87 17.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 65' ' ' ILE . 8.2 tt -120.85 100.29 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 60.72 73.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.38 55.93 14.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -126.45 162.33 25.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -151.19 104.7 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.595 HD21 HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -148.49 171.34 16.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.764 ' HB2' HD11 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -108.26 109.0 20.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 109.573 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.736 HD13 HG21 ' A' ' 25' ' ' ILE . 12.1 pt -95.76 165.41 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.74 145.16 35.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -56.57 19.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.81 -42.26 75.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.66 -42.92 85.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.45 70.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -76.7 -39.56 51.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -34.47 77.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.651 ' CD2' HD13 ' A' ' 25' ' ' ILE . 13.7 mt -57.2 -45.16 84.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.738 HG23 HD12 ' A' ' 52' ' ' ILE . 54.6 t -69.22 -46.25 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.17 -36.91 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.49 ' HB1' HD11 ' A' ' 27' ' ' ILE . . . -68.21 -32.93 73.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.424 ' C ' HG13 ' A' ' 47' ' ' VAL . . . 125.38 39.62 0.43 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.67 160.92 14.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 0.757 . . . . 0.0 109.313 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' CB ' ' HA ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -61.97 142.12 57.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.428 ' OD1' HG11 ' A' ' 81' ' ' VAL . 4.3 t0 -125.05 95.96 4.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -120.02 -10.87 9.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.654 ' HB3' HG22 ' A' ' 52' ' ' ILE . 1.6 ptm180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.516 0.198 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.3 p -106.87 110.51 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.642 HG21 HG21 ' A' ' 72' ' ' ILE . 2.1 pp -59.9 143.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.4 tp10 -119.41 163.02 17.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.252 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.43 HG21 ' HB2' ' A' ' 83' ' ' ALA . 39.4 mm -137.59 148.26 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -131.85 89.75 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 p -73.25 -31.55 64.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.87 -50.22 69.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.94 -20.63 18.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 82.99 35.37 18.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 3.4 t -125.29 164.08 25.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 0.74 . . . . 0.0 109.244 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.506 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.6 p -124.99 141.91 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 5.0 t -139.3 122.91 17.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.406 HG22 HG22 ' A' ' 25' ' ' ILE . 42.4 t -97.03 151.51 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.447 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 4.3 mt-10 -108.75 132.08 54.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 1.9 mt -151.35 86.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 40.92 47.92 2.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.14 52.43 1.48 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -99.99 123.83 44.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -114.05 46.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -179.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.96 122.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -165.33 163.68 13.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.2 Cg_endo -75.05 144.03 29.58 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.3 t -66.9 -27.45 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -75.15 -2.99 30.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 m -115.58 34.93 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.035 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.731 HD13 HD23 ' A' ' 80' ' ' LEU . 83.3 mt -104.2 172.34 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.447 ' CB ' ' HB2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.33 128.8 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.85 HD12 HG23 ' A' ' 81' ' ' VAL . 2.9 mt -109.57 141.26 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.0 175.23 26.49 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.531 1.145 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 60' ' ' LEU . 17.3 m -139.17 143.17 38.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.49 116.03 31.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.01 -8.02 45.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -42.9 84.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.023 ' HB3' HD12 ' A' ' 60' ' ' LEU . . . -134.47 13.11 3.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 55.84 45.52 24.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.023 HD12 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -118.69 163.41 16.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.1 m -95.19 150.66 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.89 171.13 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.803 HD22 ' H ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -134.92 143.76 47.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.803 ' H ' HD22 ' A' ' 63' ' ' LEU . 52.6 m-85 -119.03 133.16 55.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 16.4 tt -156.33 102.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 5.3 t0 82.41 37.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.38 40.44 99.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.57 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -113.78 173.29 6.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.88 113.36 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.57 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -144.84 171.43 14.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.453 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.1 m-70 -104.05 124.16 48.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.579 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.642 HG21 HG21 ' A' ' 25' ' ' ILE . 10.2 pt -115.24 170.69 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.429 ' CB ' ' HB2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -64.8 146.03 55.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.66 -57.12 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.93 -37.44 76.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.429 ' HB2' ' CB ' ' A' ' 73' ' ' SER . 1.0 OUTLIER -68.62 -31.32 70.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.587 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -69.61 -30.17 67.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -76.05 -44.21 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -57.89 -29.66 65.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.731 HD23 HD13 ' A' ' 50' ' ' LEU . 1.3 mt -61.18 -41.65 97.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.85 HG23 HD12 ' A' ' 52' ' ' ILE . 22.2 t -67.54 -48.48 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.0 t -54.84 -37.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 27' ' ' ILE . . . -63.79 -25.94 68.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.56 19.2 5.83 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -78.97 157.62 28.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.46 149.5 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -133.6 102.39 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -119.43 -13.63 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.467 ' HD3' ' CG2' ' A' ' 52' ' ' ILE . 29.9 ptt180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.457 ' HG3' HG22 ' A' ' 38' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.458 0.17 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.415 ' HA ' ' OD1' ' A' ' 76' ' ' ASP . 39.6 p -114.42 132.57 56.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -78.6 143.14 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -114.51 163.74 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.1 mm -138.3 142.29 35.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -128.62 89.41 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 m -73.89 -45.93 47.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.66 -51.22 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -87.87 -25.01 23.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 77.49 54.67 4.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 2.9 t -147.79 164.39 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.837 ' SG ' HD21 ' A' ' 50' ' ' LEU . 1.8 p -117.28 143.12 46.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 108.259 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 85.3 p -146.03 118.42 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.81 150.46 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -108.73 124.78 51.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.2 pp -146.87 86.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 9.2 tp10 67.28 -60.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -126.24 67.92 0.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' GLY . 16.2 t -37.57 135.18 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.53 45.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -100.26 173.11 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -175.16 119.46 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -168.6 159.38 8.47 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.75 20.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.435 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 55.6 t -68.29 -26.44 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -75.8 -1.58 25.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.9 m -126.73 48.27 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.837 HD21 ' SG ' ' A' ' 34' ' ' CYS . 96.5 mt -111.35 164.65 12.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.65 138.73 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.633 HD12 HG23 ' A' ' 81' ' ' VAL . 3.4 mt -108.49 142.86 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.81 179.08 16.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.493 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 86.5 m -125.49 142.17 51.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.451 ' CB ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -110.88 105.5 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.9 -9.59 55.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.31 -36.9 77.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.508 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.42 15.05 4.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' ASP . 51.0 mtp180 45.05 48.92 9.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -128.21 164.13 23.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.6 m -85.3 140.71 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.844 HG11 ' HE ' ' A' ' 69' ' ' ARG . 3.3 m -119.96 168.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.972 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -122.52 138.1 54.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.972 ' N ' HD22 ' A' ' 63' ' ' LEU . 4.0 m-85 -119.12 111.47 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 5.7 tt -127.08 112.3 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 3.6 t0 79.56 13.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.6 31.71 20.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.895 ' HD2' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -105.52 172.86 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.844 ' HE ' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -137.32 115.92 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.908 HD21 HD12 ' A' ' 63' ' ' LEU . 1.2 pt? -136.62 171.35 14.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 2.0 p-80 -110.26 114.91 28.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.55 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 77' ' ' ALA . 4.8 pt -113.64 166.28 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -64.88 144.93 56.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.99 -57.56 9.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.63 -40.61 88.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.561 ' CB ' HD12 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -65.12 -30.49 71.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.494 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -71.08 -30.01 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -77.26 -38.81 50.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -66.58 -32.27 73.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.463 HD12 HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -56.77 -46.63 81.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.633 HG23 HD12 ' A' ' 52' ' ' ILE . 3.0 t -66.51 -50.31 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.0 t -51.1 -35.89 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.1 -24.48 67.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 132.49 -4.79 5.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -65.6 150.76 47.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.426 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.9 OUTLIER -65.44 149.87 49.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.558 ' CG ' HG21 ' A' ' 81' ' ' VAL . 5.1 t0 -121.05 108.63 14.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.426 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 30.1 mm-40 -121.49 -11.22 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.493 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.437 ' HG3' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.499 0.19 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -115.41 100.44 8.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.825 HD13 HD11 ' A' ' 80' ' ' LEU . 1.5 pp -53.04 126.64 9.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 35' ' ' SER . 4.1 tp10 -94.56 164.94 12.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.48 HD11 ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -139.14 127.91 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 1.8 t0 -117.07 88.5 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.98 -19.78 60.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.92 -51.2 70.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -99.7 -30.98 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.77 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 101.73 25.78 7.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 94.7 t -118.57 154.92 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.989 ' SG ' HG22 ' A' ' 47' ' ' VAL . 52.9 m -127.2 143.84 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.266 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 71.2 m -146.41 129.02 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.534 ' HB ' HG22 ' A' ' 25' ' ' ILE . 12.6 p -96.88 149.4 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 3.1 pt-20 -109.48 135.54 50.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.464 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 2.0 mt -149.35 88.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 11.8 pt-20 44.49 27.64 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.248 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.58 57.26 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.402 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 43.8 p -39.67 123.8 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.753 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -157.85 48.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.23 175.04 7.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.579 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.79 127.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.712 ' HB3' HD11 ' A' ' 65' ' ' ILE . . . -163.79 155.53 14.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 144.84 30.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.989 HG22 ' SG ' ' A' ' 34' ' ' CYS . 2.7 t -65.54 -25.97 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -78.34 0.55 25.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 m -120.21 35.45 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.572 HD13 HD22 ' A' ' 80' ' ' LEU . 75.0 mt -106.85 168.41 9.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.09 129.0 3.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.527 HD12 ' CG2' ' A' ' 81' ' ' VAL . 3.2 mt -106.47 141.39 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.41 176.22 21.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -119.85 133.14 55.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.78 ' HB3' HD23 ' A' ' 60' ' ' LEU . 32.8 t0 -104.95 96.79 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.94 -12.73 39.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -58.92 -40.81 85.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.585 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.35 14.05 4.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 49.16 49.99 18.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.78 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -130.29 164.26 25.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.4 p -84.91 139.92 31.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.04 160.85 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.881 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -123.55 142.42 51.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.881 ' N ' HD22 ' A' ' 63' ' ' LEU . 46.5 m-85 -118.91 129.66 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 45' ' ' ALA . 13.9 tt -151.13 104.02 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 1.1 t70 82.68 34.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.6 42.7 97.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.563 1.164 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.529 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -118.66 174.11 6.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.378 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.401 ' NH2' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -151.12 115.42 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.437 ' CD1' ' HG3' ' A' ' 23' ' ' MET . 0.1 OUTLIER -141.01 168.46 19.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.428 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -99.86 108.75 21.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.527 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 1.7 pt -102.99 169.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.11 144.91 50.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 9.5 pt-20 -55.72 -46.64 77.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 13.0 pt-20 -63.15 -42.42 99.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.62 ' HB3' HD11 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -64.86 -36.2 83.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.527 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . . . -67.72 -29.72 69.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.517 HE21 HG23 ' A' ' 82' ' ' VAL . 21.9 tp60 -77.42 -36.52 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -67.0 -31.85 72.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.825 HD11 HD13 ' A' ' 25' ' ' ILE . 18.0 mt -61.78 -48.89 78.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.527 ' CG2' HD12 ' A' ' 52' ' ' ILE . 75.6 t -61.64 -51.43 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.517 HG23 HE21 ' A' ' 78' ' ' GLN . 42.0 t -54.16 -36.3 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.731 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -67.36 -21.97 65.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.23 8.5 8.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.56 ' HB3' ' C ' ' A' ' 80' ' ' LEU . . . -68.49 154.32 42.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -58.18 151.52 18.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -133.05 100.34 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -121.71 -10.75 8.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.3 tpp . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.506 0.193 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.32 135.92 52.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.068 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.564 HG21 HG21 ' A' ' 72' ' ' ILE . 1.8 pp -78.46 143.02 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.4 tp10 -115.08 163.57 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.1 tp -131.45 150.51 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -129.37 91.0 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -56.74 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.26 -51.06 47.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -78.41 -26.25 46.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 73.23 59.17 4.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -158.24 173.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.629 ' N ' HG13 ' A' ' 33' ' ' VAL . 1.4 p -124.69 140.43 52.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 13.0 m -146.57 124.71 12.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 25' ' ' ILE . 47.3 t -96.82 150.11 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 3.4 pt-20 -106.21 137.33 44.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.44 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 2.2 mt -150.75 92.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 12.4 pt-20 42.88 47.09 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.93 51.76 2.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 t -107.28 113.65 27.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 0.774 . . . . 0.0 109.965 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 ttt-85 -100.03 50.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -178.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.633 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -179.79 125.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.725 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -161.67 163.52 19.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.3 Cg_endo -74.97 142.95 28.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.466 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 3.4 t -70.69 -27.78 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -73.48 -4.52 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.0 m -117.54 34.06 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.739 HD13 HD22 ' A' ' 80' ' ' LEU . 68.3 mt -101.54 171.54 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.6 129.3 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.779 HD12 HG23 ' A' ' 81' ' ' VAL . 2.7 mt -108.73 141.11 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.9 179.02 22.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.2 m -131.25 134.91 46.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 59' ' ' ARG . 2.1 t0 -97.15 101.04 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.02 -12.86 42.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -39.73 90.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.12 9.55 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.8 ttt180 54.45 52.12 12.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -130.12 160.82 32.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 p -84.43 141.83 30.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.584 HG11 ' HE ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -128.23 162.06 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.959 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -122.7 139.9 53.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.959 ' N ' HD22 ' A' ' 63' ' ' LEU . 5.1 m-30 -119.18 110.66 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.487 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 13.7 tt -130.68 102.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 5.9 t0 81.79 49.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.26 44.21 43.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.563 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -116.1 176.45 5.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 109.377 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.584 ' HE ' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -150.94 114.66 4.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.563 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -143.32 171.26 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -104.01 120.99 42.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.658 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.564 HG21 HG21 ' A' ' 25' ' ' ILE . 1.5 pt -119.38 166.4 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 10.8 t -70.08 154.2 42.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.61 -57.25 7.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.92 -45.02 60.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.35 -26.91 62.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.493 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -72.33 -30.38 64.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.33 -46.24 28.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.69 -30.04 54.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.36 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.739 HD22 HD13 ' A' ' 50' ' ' LEU . 14.2 mt -60.97 -41.06 95.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.779 HG23 HD12 ' A' ' 52' ' ' ILE . 24.1 t -67.19 -51.95 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.52 -36.83 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.28 73.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.27 38.68 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.57 156.18 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.78 150.13 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -132.86 99.33 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -120.04 -12.42 9.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.296 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.9 ttp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.53 0.205 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.8 m -118.54 102.15 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 25' ' ' ILE . 2.8 pp -54.86 124.35 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -103.13 160.95 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.802 HD12 ' O ' ' A' ' 27' ' ' ILE . 2.0 pp -125.11 156.44 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.3 OUTLIER -132.84 91.56 2.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -73.21 -46.4 50.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.948 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -51.16 66.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -29.88 38.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 81.91 45.47 7.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 1.024 HG22 ' O ' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -144.95 173.82 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.763 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.6 p -127.05 141.17 51.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 108.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 p -147.38 138.24 23.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 p -110.31 151.36 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -110.65 128.01 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.0 OUTLIER -144.17 86.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 68.42 -62.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -119.86 74.33 0.32 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' GLY . 27.4 p -37.93 124.43 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 110.047 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.01 49.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.48 165.83 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -177.82 118.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 1.024 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -150.82 167.82 12.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.599 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.0 Cg_endo -75.05 144.97 30.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.763 HG22 ' HB3' ' A' ' 34' ' ' CYS . 61.2 t -85.14 -28.45 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.26 -4.01 33.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 t -118.57 31.73 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.973 HD13 HD22 ' A' ' 80' ' ' LEU . 62.5 mt -99.11 175.48 5.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.13 129.4 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.414 HD11 ' O ' ' A' ' 77' ' ' ALA . 3.3 mt -105.77 144.34 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.7 175.24 25.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.5 m -123.54 137.23 54.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 110.432 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.505 ' HB3' HD23 ' A' ' 60' ' ' LEU . 5.9 t0 -106.76 103.46 12.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.18 -11.32 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.64 -40.8 84.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.623 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.39 13.46 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 51.89 50.1 19.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -131.58 164.09 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 p -84.05 149.64 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.935 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.461 HG21 ' CZ ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -129.77 169.14 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.86 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -128.0 142.1 51.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.86 ' N ' HD22 ' A' ' 63' ' ' LEU . 8.6 m-85 -118.98 125.78 50.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 11.3 tt -146.03 109.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 6.2 t0 78.91 22.21 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.28 34.94 44.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -111.31 170.51 8.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.461 ' CZ ' HG21 ' A' ' 62' ' ' VAL . 4.0 tpp85 -137.68 121.14 17.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.587 HD21 HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -145.31 171.45 14.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.49 ' HB2' HD11 ' A' ' 60' ' ' LEU . 1.8 p80 -105.45 118.37 36.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.589 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.8 pt -112.65 170.3 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.56 144.94 45.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 12.6 pt-20 -54.53 -48.73 71.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.453 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 13.2 pt-20 -63.69 -41.71 98.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.566 ' HB3' HD11 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -65.63 -30.06 70.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.414 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -70.89 -30.0 66.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.69 ' OE1' HG23 ' A' ' 82' ' ' VAL . 1.0 OUTLIER -77.0 -41.81 41.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -31.82 71.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.973 HD22 HD13 ' A' ' 50' ' ' LEU . 23.2 mt -59.98 -44.42 94.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.7 t -64.96 -48.49 83.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.69 HG23 ' OE1' ' A' ' 78' ' ' GLN . 49.6 t -58.45 -37.41 63.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.431 ' CB ' HG11 ' A' ' 47' ' ' VAL . . . -65.95 -31.73 72.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.07 40.39 0.41 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.32 158.22 16.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 0.73 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.409 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -67.71 144.63 55.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -126.68 108.79 11.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.409 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 15.7 mm-40 -120.85 -12.44 8.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.48 ' HG2' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.531 0.205 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.6 t -99.6 142.55 30.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.98 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.633 ' C ' HD12 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -90.22 127.74 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.0 tp10 -105.03 162.9 12.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.4 mm -141.94 141.78 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.76 92.26 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -56.51 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -51.09 62.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.9 mp0 -72.64 -29.09 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.83 57.4 3.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 45' ' ' ALA . 0.5 OUTLIER -161.3 173.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.885 ' SG ' HD21 ' A' ' 50' ' ' LEU . 1.8 p -126.8 143.17 51.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 43.9 p -144.83 121.53 11.17 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.44 HG21 HD13 ' A' ' 63' ' ' LEU . 12.0 p -96.95 152.53 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.447 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 2.7 mt-10 -106.57 131.23 53.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 1.9 mt -151.21 86.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' ILE . 7.0 pt-20 38.12 45.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.35 51.73 1.04 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' ARG . 35.6 t -94.95 -65.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 41' ' ' SER . 26.1 mtt-85 38.28 40.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -172.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -154.2 114.13 3.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.719 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -149.09 159.56 36.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.55 17.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.562 1.822 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.499 HG22 ' HB3' ' A' ' 34' ' ' CYS . 3.4 t -60.31 -26.12 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -77.64 -0.35 26.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.6 t -125.45 44.28 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.885 HD21 ' SG ' ' A' ' 34' ' ' CYS . 53.8 mt -106.62 169.54 8.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.23 138.19 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.782 HD12 HG23 ' A' ' 81' ' ' VAL . 3.3 mt -108.87 144.72 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.23 176.66 18.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.155 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.6 m -131.19 135.03 47.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.898 ' HB3' HD23 ' A' ' 60' ' ' LEU . 32.4 t70 -109.32 99.7 8.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.9 -8.78 47.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -69.37 -35.4 75.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.51 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -132.25 15.04 4.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 46.68 49.13 14.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.898 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -133.85 164.44 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.5 m -86.73 152.88 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 71' ' ' HIS . 2.8 m -125.02 174.46 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.755 HD23 ' N ' ' A' ' 64' ' ' TYR . 3.2 tt -116.38 128.23 55.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.755 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -113.92 111.15 21.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.528 HD12 HD23 ' A' ' 50' ' ' LEU . 3.8 tp -121.88 122.97 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.33 -72.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . -170.16 37.67 0.19 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.496 ' CG ' ' N ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -120.66 168.8 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.496 ' N ' ' CG ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -145.45 121.2 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.48 HD12 ' HG2' ' A' ' 23' ' ' MET . 0.3 OUTLIER -136.36 170.6 15.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.407 ' HA ' HG12 ' A' ' 62' ' ' VAL . 8.7 m-70 -94.83 121.66 36.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.584 HD13 HG21 ' A' ' 25' ' ' ILE . 1.7 pt -119.35 170.29 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.95 153.8 42.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -57.24 12.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -56.74 -42.59 79.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -35.77 81.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -65.56 -30.81 71.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -77.06 -40.68 45.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -61.55 -34.29 75.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.621 ' HG ' HD13 ' A' ' 25' ' ' ILE . 1.4 mt -53.4 -45.13 69.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.969 HG21 ' OD1' ' A' ' 87' ' ' ASP . 3.5 t -68.55 -50.46 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.8 t -51.88 -36.73 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.8 -23.06 67.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.53 9.5 8.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -71.5 158.1 36.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.764 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.27 150.18 49.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.969 ' OD1' HG21 ' A' ' 81' ' ' VAL . 2.7 t0 -127.62 106.19 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -121.74 -11.47 8.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.59 ' HG3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.508 0.194 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.0 p -77.46 141.12 39.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.709 HD13 ' HG ' ' A' ' 80' ' ' LEU . 1.2 pp -95.82 141.23 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.7 tp10 -110.29 163.32 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' ' 27' ' ' ILE . 19.6 mm -136.66 133.31 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -120.76 88.86 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.43 -42.42 62.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.91 -51.1 31.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -90.08 -23.73 21.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 78.68 38.58 23.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 2.8 t -126.13 164.45 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.913 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.9 p -116.57 142.34 47.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 108.321 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 42.0 m -149.26 119.64 7.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.485 HG23 HG22 ' A' ' 25' ' ' ILE . 10.6 p -97.95 150.68 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 2.9 mt-10 -106.27 128.99 54.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.59 HG23 ' HG3' ' A' ' 23' ' ' MET . 0.2 OUTLIER -153.96 86.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' ILE . 2.8 pt-20 32.03 69.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.45 64.29 1.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 t -114.24 123.9 50.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -124.07 47.38 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -177.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.603 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.8 127.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.665 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -171.07 170.52 2.84 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.665 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.4 Cg_endo -74.98 126.95 10.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.913 HG22 ' HB3' ' A' ' 34' ' ' CYS . 46.1 t -68.92 -20.26 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -79.82 -3.94 49.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 t -127.27 50.01 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.557 HD21 ' SG ' ' A' ' 34' ' ' CYS . 91.7 mt -110.98 176.02 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -161.4 136.96 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.552 HD12 HG23 ' A' ' 81' ' ' VAL . 3.6 mt -111.16 144.64 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.49 179.34 18.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 60' ' ' LEU . 15.7 m -143.03 142.33 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.388 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -94.4 111.6 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.23 -7.47 47.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.58 -35.13 65.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.65 13.29 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' ASP . 8.0 mtm180 48.32 45.45 20.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 54' ' ' THR . 13.6 mt -113.8 163.1 15.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.43 147.99 23.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 71' ' ' HIS . 2.5 m -132.62 172.89 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.873 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -134.42 143.15 47.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.873 ' N ' HD22 ' A' ' 63' ' ' LEU . 14.8 m-85 -119.07 124.53 47.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.432 HG23 ' HG2' ' A' ' 68' ' ' LYS . 16.7 tt -130.09 124.61 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.26 -65.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . 177.21 37.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HG2' HG23 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -116.71 172.52 7.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.68 125.69 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.51 171.83 18.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.426 ' HA ' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -107.9 130.7 55.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.536 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.585 HG21 ' CG2' ' A' ' 25' ' ' ILE . 1.4 pt -120.6 168.93 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.74 145.3 56.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.68 -38.89 79.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -71.41 -39.3 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.406 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 1.8 m-20 -70.99 -28.42 64.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.487 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -71.91 -30.03 64.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 82' ' ' VAL . 3.9 tp60 -77.17 -42.91 35.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -29.78 68.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.709 ' HG ' HD13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -58.24 -46.46 85.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.62 HG21 ' OD2' ' A' ' 87' ' ' ASP . 21.9 t -71.2 -47.62 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 78' ' ' GLN . 51.2 t -50.57 -35.88 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.99 -29.29 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 143.0 -13.04 2.37 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -56.51 156.61 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.561 ' O ' HG22 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -73.42 152.12 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.62 ' OD2' HG21 ' A' ' 81' ' ' VAL . 2.2 t0 -132.85 103.94 6.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -122.32 -10.34 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.482 ' HG2' HG22 ' A' ' 52' ' ' ILE . 1.4 ptt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.512 0.196 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.5 p -98.69 130.99 45.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.814 HG12 HD12 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -89.2 140.91 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -130.42 163.35 27.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.624 HG23 HG21 ' A' ' 47' ' ' VAL . 16.7 mm -135.78 151.02 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.381 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -126.41 90.34 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -35.31 66.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -49.35 -51.07 36.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -96.64 -22.58 16.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 86.91 15.83 62.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.573 ' C ' HG23 ' A' ' 47' ' ' VAL . 3.2 t -99.98 164.38 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.608 ' HB3' HD11 ' A' ' 50' ' ' LEU . 7.2 p -105.04 143.8 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.263 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 12.1 t -143.41 112.77 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.721 HG23 ' HA ' ' A' ' 25' ' ' ILE . 15.0 p -115.68 148.45 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.439 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -93.5 139.13 31.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -164.67 169.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 39' ' ' GLU . 2.0 pt-20 -54.71 88.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 92.53 53.89 1.9 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' GLY . 7.8 p -39.45 127.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.787 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -169.46 47.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -117.68 178.58 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.658 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 169.43 129.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.915 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -174.93 -178.65 0.36 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.915 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.2 Cg_endo -75.0 144.3 30.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.624 HG21 HG23 ' A' ' 27' ' ' ILE . 2.9 t -79.2 -28.64 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.19 -2.74 29.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.449 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 3.2 t -118.47 40.22 3.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 34' ' ' CYS . 39.5 mt -109.6 156.42 20.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -141.42 149.83 41.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.664 ' CD1' HG23 ' A' ' 81' ' ' VAL . 3.1 mt -112.92 144.68 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.479 ' C ' ' CG2' ' A' ' 62' ' ' VAL . . . -119.08 174.42 15.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 m -125.05 133.97 52.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.74 ' HB3' HD23 ' A' ' 60' ' ' LEU . 11.2 t0 -107.5 100.51 9.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.31 -12.86 46.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -58.91 -41.44 87.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.617 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.53 13.34 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 51.22 50.57 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.74 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -130.91 163.15 28.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.06 156.83 26.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.479 ' CG2' ' C ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -132.74 179.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.727 ' C ' HD23 ' A' ' 63' ' ' LEU . 3.1 tt -111.98 124.89 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.679 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -119.13 110.94 17.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.534 HG23 ' HG2' ' A' ' 68' ' ' LYS . 3.1 tt -131.85 125.65 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 t70 68.75 9.45 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.29 29.64 16.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HG2' HG23 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -101.4 172.08 7.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.472 ' CZ ' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -137.6 120.63 16.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -143.21 169.97 16.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.437 ' O ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -97.52 125.84 42.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.577 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.752 HD11 ' HB2' ' A' ' 77' ' ' ALA . 1.1 pt -128.61 170.04 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.25 149.73 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.039 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.04 -35.54 81.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.26 -37.06 63.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.442 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 1.8 m-20 -72.42 -28.34 62.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.752 ' HB2' HD11 ' A' ' 72' ' ' ILE . . . -71.19 -30.58 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -77.05 -43.59 33.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -68.13 -29.61 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.814 HD12 HG12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -55.12 -46.35 75.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.664 HG23 ' CD1' ' A' ' 52' ' ' ILE . 8.2 t -71.54 -47.93 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.7 t -50.93 -35.74 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.592 ' HB1' HG21 ' A' ' 27' ' ' ILE . . . -66.01 -27.67 68.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 138.16 -9.34 3.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -58.5 150.42 22.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.29 150.84 45.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.536 ' CG ' HG21 ' A' ' 81' ' ' VAL . 2.6 t0 -123.18 112.99 18.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -123.06 -10.93 8.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.535 0.207 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.07 131.63 44.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.643 HD13 ' HG ' ' A' ' 80' ' ' LEU . 1.4 pp -73.66 143.05 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -119.75 162.14 19.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.448 HD11 HD23 ' A' ' 80' ' ' LEU . 12.7 mm -141.36 149.49 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLY . 4.1 t0 -130.14 89.71 2.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 p -72.98 -26.21 61.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -50.8 71.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -99.08 -20.23 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 87.17 18.98 56.68 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.464 1.103 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 3.7 t -102.73 163.34 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.6 p -127.44 142.51 51.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 108.361 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 18.4 t -148.79 128.1 12.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.418 HG21 HD21 ' A' ' 70' ' ' LEU . 10.6 p -99.03 151.16 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -107.36 131.75 53.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.61 HD11 HD22 ' A' ' 70' ' ' LEU . 6.2 mt -148.02 86.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' ILE . 7.3 pt-20 37.48 37.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.78 61.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 t -39.46 124.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 110.018 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -155.6 48.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -122.91 175.35 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.599 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.77 123.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -175.01 166.65 2.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.3 Cg_endo -75.0 142.57 28.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.46 HG22 ' HB3' ' A' ' 34' ' ' CYS . 2.9 t -60.95 -23.36 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -78.38 0.15 26.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.14 34.23 5.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.524 HD13 HD22 ' A' ' 80' ' ' LEU . 76.4 mt -107.1 163.54 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.44 136.73 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.717 ' CD1' HG23 ' A' ' 81' ' ' VAL . 3.5 mt -102.21 140.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.58 179.1 18.1 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.542 1.152 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.502 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 63.7 m -124.66 143.03 50.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.466 ' HB3' HD23 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -115.74 102.76 10.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.91 -10.65 54.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -39.8 92.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.62 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.21 13.48 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 52.11 49.67 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -133.14 163.87 28.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.6 p -85.06 145.26 27.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 m -121.2 171.34 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.933 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.47 145.16 49.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.933 ' N ' HD22 ' A' ' 63' ' ' LEU . 3.8 m-85 -116.88 116.58 27.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.496 ' O ' HG23 ' A' ' 65' ' ' ILE . 4.5 tp -127.85 108.24 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 9.7 t0 81.99 -4.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.5 15.58 12.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 170.28 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 115.63 15.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.61 HD22 HD11 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -136.28 171.22 14.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.45 ' N ' HD12 ' A' ' 70' ' ' LEU . 42.4 p-80 -103.19 115.48 30.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.615 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.589 HD11 ' CB ' ' A' ' 77' ' ' ALA . 1.3 pt -110.82 171.24 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.98 152.79 39.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.64 -57.21 13.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.15 -38.71 80.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.53 -27.95 68.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.589 ' CB ' HD11 ' A' ' 72' ' ' ILE . . . -75.14 -28.1 60.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -43.29 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -66.1 -30.58 71.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.643 ' HG ' HD13 ' A' ' 25' ' ' ILE . 3.7 mt -56.85 -45.58 82.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.717 HG23 ' CD1' ' A' ' 52' ' ' ILE . 18.8 t -69.35 -48.11 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.9 t -52.32 -37.03 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.04 -23.33 67.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.33 2.78 7.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -67.28 155.95 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.58 144.4 55.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.609 ' OD1' HG21 ' A' ' 81' ' ' VAL . 3.0 t0 -116.41 110.38 18.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.42 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 6.0 mm100 -122.54 -10.74 8.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.502 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER -75.45 -46.44 32.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -153.33 -178.53 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -76.55 123.6 26.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.591 ' HG ' HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -41.39 105.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.45 177.6 4.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -142.08 -62.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -133.43 167.01 21.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.774 ' HB3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.532 0.206 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.7 m -100.2 106.37 18.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.8 HD13 ' HG ' ' A' ' 80' ' ' LEU . 2.9 pp -53.05 142.24 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -109.66 164.21 12.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.427 HD11 HG11 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -144.05 139.33 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.4 89.62 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -73.24 -39.92 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.19 -51.02 35.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -90.2 -27.1 19.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.58 23.99 34.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 13.7 t -111.81 161.78 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.97 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.6 p -127.19 142.81 51.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 108.295 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 26.8 t -148.97 135.19 19.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.63 HG22 HG22 ' A' ' 25' ' ' ILE . 71.6 t -98.8 158.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HA ' ' CB ' ' A' ' 41' ' ' SER . 5.4 mt-10 -112.32 133.79 54.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.774 HG23 ' HB3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -162.2 86.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ILE . 11.3 pt-20 35.9 53.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' SER . . . 157.39 -39.12 0.55 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' GLY . 51.6 p 36.39 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.64 49.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.35 179.03 4.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.66 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -178.53 121.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -171.59 167.74 3.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.1 Cg_endo -75.06 141.95 27.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.97 HG22 ' HB3' ' A' ' 34' ' ' CYS . 78.2 t -75.38 -27.27 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -74.63 -3.51 31.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.7 t -118.65 41.53 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.789 HD13 HD22 ' A' ' 80' ' ' LEU . 33.6 mt -103.78 167.84 9.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.32 131.01 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 3.3 mt -109.42 145.06 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.22 178.8 23.68 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.44 ' OG1' ' NE ' ' A' ' 89' ' ' ARG . 89.3 m -118.91 137.44 53.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.499 ' OD2' ' CZ ' ' A' ' 69' ' ' ARG . 0.5 OUTLIER -101.93 99.16 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.43 -14.25 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.88 -41.13 86.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.28 9.72 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.3 OUTLIER 55.38 51.48 12.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -131.22 162.74 29.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -82.8 136.84 34.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.482 HG13 ' HB2' ' A' ' 55' ' ' ASP . 14.8 m -120.9 164.35 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.734 ' C ' HD13 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -123.03 143.16 50.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.731 ' H ' HD22 ' A' ' 63' ' ' LEU . 17.9 m-85 -118.72 126.53 52.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.506 HD11 ' HB3' ' A' ' 45' ' ' ALA . 12.1 tt -147.28 112.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 0.8 OUTLIER 77.72 10.99 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.5 41.75 5.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HG2' HG23 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -116.1 171.78 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.499 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 0.3 OUTLIER -143.61 111.72 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.74 171.51 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -102.95 122.22 44.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.593 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.613 HG21 HG21 ' A' ' 25' ' ' ILE . 3.3 pt -119.12 163.74 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.04 149.78 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 75' ' ' GLU . 0.2 OUTLIER -66.85 -38.48 86.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 74' ' ' GLU . 4.2 tp10 -71.4 -37.72 71.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -70.86 -32.45 69.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.503 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -65.41 -32.61 74.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.578 ' HG3' HD12 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -77.29 -43.22 33.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -66.17 -31.02 71.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.8 ' HG ' HD13 ' A' ' 25' ' ' ILE . 1.1 mt -62.61 -48.33 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.7 t -61.94 -51.6 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.3 t -51.36 -35.42 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -63.92 -25.27 68.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 135.39 -6.85 4.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.03 152.72 31.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.449 ' O ' HG22 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -68.42 154.82 41.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -125.84 107.13 10.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.42 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 6.9 mm100 -121.92 -10.22 8.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.44 ' NE ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER -46.69 -45.05 19.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 179.44 -68.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -157.36 -48.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.619 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.578 HD12 ' HG3' ' A' ' 78' ' ' GLN . 0.4 OUTLIER 71.26 -69.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -172.52 -48.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 55.32 65.37 1.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -83.59 90.89 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 3.0 mpp? . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.467 0.175 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.6 p -59.09 114.11 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.88 HD13 ' HG ' ' A' ' 80' ' ' LEU . 2.7 pp -59.16 143.15 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -124.18 164.19 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.425 HD13 ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -135.6 142.2 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -130.06 88.88 2.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.4 t -73.22 -43.72 60.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -38.9 26.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -97.95 -27.49 14.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 82.64 37.9 13.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.684 ' C ' HG23 ' A' ' 47' ' ' VAL . 2.6 t -135.43 164.27 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.855 ' HB3' HG22 ' A' ' 47' ' ' VAL . 5.0 p -118.27 143.47 46.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 108.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 13.4 m -148.75 122.85 9.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.403 HG12 ' CG ' ' A' ' 43' ' ' HIS . 7.2 p -97.24 154.61 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.461 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -80.86 142.98 33.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.592 HD12 ' H ' ' A' ' 42' ' ' ARG . 1.8 mt -151.61 169.72 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.457 ' H ' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -40.22 -29.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 41' ' ' SER . . . -146.97 25.43 1.61 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.433 1.083 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 40' ' ' GLY . 34.5 p 35.81 89.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.969 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.592 ' H ' HD12 ' A' ' 38' ' ' ILE . 6.3 tpp180 -132.04 59.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.553 ' ND1' HD11 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -130.9 173.0 11.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.552 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 165.56 131.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -175.2 171.44 1.25 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.699 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.3 Cg_endo -75.04 131.69 14.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.802 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.855 HG22 ' HB3' ' A' ' 34' ' ' CYS . 25.0 t -70.21 -27.54 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -75.94 -2.37 30.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.426 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 1.6 t -121.7 45.27 2.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.79 HD13 HD22 ' A' ' 80' ' ' LEU . 83.1 mt -106.99 167.84 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.5 137.37 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.677 ' CD1' HG23 ' A' ' 81' ' ' VAL . 3.6 mt -111.04 141.52 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.37 173.7 21.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.2 m -120.91 134.87 55.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -96.57 98.05 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.66 -12.49 46.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.14 -39.13 91.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.19 9.61 4.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' ASP . 3.6 ttt-85 54.62 51.86 13.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.4 mt -130.19 161.05 32.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -82.92 144.41 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.462 HG11 ' HD3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -131.08 168.1 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -122.7 142.23 50.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.871 ' N ' HD22 ' A' ' 63' ' ' LEU . 2.5 m-85 -118.82 126.38 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.417 HD11 ' HB3' ' A' ' 45' ' ' ALA . 11.1 tt -148.67 115.14 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 4.4 t70 75.18 19.72 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.56 36.85 28.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.521 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -111.4 171.83 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.462 ' HD3' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -146.0 109.07 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.521 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -135.15 171.34 14.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -100.86 112.73 25.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.479 HG21 HG21 ' A' ' 25' ' ' ILE . 2.9 pt -112.53 165.33 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.79 146.8 40.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -57.36 8.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -53.06 -43.03 66.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.456 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -66.32 -42.54 88.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.163 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.496 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -57.25 -33.59 67.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.19 -38.68 51.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.04 -31.79 71.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.88 ' HG ' HD13 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -60.93 -50.07 74.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 1.007 HG21 ' OD2' ' A' ' 87' ' ' ASP . 2.5 t -59.44 -53.15 52.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.9 t -51.27 -35.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -64.12 -26.8 68.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 140.87 -11.27 2.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 81' ' ' VAL . . . -60.08 150.93 27.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.673 ' O ' HG22 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -65.64 155.19 36.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 1.007 ' OD2' HG21 ' A' ' 81' ' ' VAL . 2.5 t70 -129.25 112.87 14.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.417 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 29.4 mm-40 -123.58 -10.58 7.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -44.56 19.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.44 -64.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -169.66 173.14 6.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.59 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.683 HD22 ' N ' ' A' ' 93' ' ' MET . 0.0 OUTLIER -169.37 173.94 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.683 ' N ' HD22 ' A' ' 92' ' ' LEU . 0.1 OUTLIER 179.12 119.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.92 132.62 44.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.39 101.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 p30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.405 ' HG2' HG23 ' A' ' 38' ' ' ILE . 11.0 mtm . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.461 0.172 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.432 ' C ' HG23 ' A' ' 36' ' ' VAL . 1.7 m -88.16 127.09 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.034 HD13 HD11 ' A' ' 80' ' ' LEU . 2.3 pp -86.61 134.21 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -107.54 164.35 12.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.874 HD11 HG21 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -130.9 136.55 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.632 ' H ' HD13 ' A' ' 27' ' ' ILE . 5.4 t0 -124.33 89.05 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -72.99 -24.96 60.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -51.03 65.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.39 -23.57 13.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 90.33 44.08 4.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' ASP . 53.8 t -136.83 159.29 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 0.727 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' ' 50' ' ' LEU . 2.1 p -116.9 143.1 46.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.308 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -139.36 114.49 9.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.432 HG23 ' C ' ' A' ' 24' ' ' SER . 7.2 p -96.84 152.8 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.65 148.23 25.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -160.47 169.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -41.05 -28.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -141.72 71.38 0.41 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 83.2 p -39.44 143.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 110.006 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.6 OUTLIER 162.93 44.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 167.14 12.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.612 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 171.87 132.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.28 159.51 10.51 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 125.74 9.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.874 HG21 HD11 ' A' ' 27' ' ' ILE . 39.7 t -57.88 -26.35 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -76.09 -1.92 28.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -125.15 33.26 5.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.491 HD11 ' SG ' ' A' ' 34' ' ' CYS . 61.2 mt -101.45 176.89 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HA ' ' CB ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -161.86 129.85 4.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 mt -106.83 138.37 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.44 179.11 17.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.3 m -122.23 133.63 54.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 110.394 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.801 ' HB3' HD23 ' A' ' 60' ' ' LEU . 17.3 t70 -105.62 96.38 6.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.83 -12.71 38.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.89 -40.03 83.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.63 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.25 14.02 4.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.66 50.12 19.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.32 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.801 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -132.77 163.17 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.409 ' OG ' ' NE ' ' A' ' 89' ' ' ARG . 5.9 m -88.78 139.67 30.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.4 m -120.04 156.08 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.886 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -115.54 143.85 44.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.886 ' N ' HD22 ' A' ' 63' ' ' LEU . 10.0 m-85 -119.01 128.95 54.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 8.2 tt -146.58 106.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 4.9 t0 81.58 18.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.86 40.03 12.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.59 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -115.56 170.97 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.72 111.24 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.59 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -141.14 171.46 14.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.509 ' N ' HD12 ' A' ' 70' ' ' LEU . 64.6 m-70 -97.4 114.07 25.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.593 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.437 HG21 HG21 ' A' ' 25' ' ' ILE . 3.4 pt -110.42 164.14 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.84 145.56 54.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -56.52 18.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.53 -42.73 67.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.473 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -63.21 -45.32 92.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.24 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -77.12 -38.05 52.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -63.6 -34.16 77.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.034 HD11 HD13 ' A' ' 25' ' ' ILE . 75.0 mt -62.27 -49.5 75.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 t -54.49 -56.77 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.5 t -54.45 -36.7 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.43 ' CB ' HG11 ' A' ' 47' ' ' VAL . . . -64.82 -32.96 74.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.23 42.35 0.22 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.86 157.04 18.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.1 tp10 -63.8 152.77 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -132.42 107.01 8.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 16.6 mm-40 -120.85 -11.88 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' NE ' ' OG ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -52.24 -48.92 64.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.85 -60.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -167.96 178.95 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.62 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -70.43 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.13 172.5 12.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -145.52 140.15 27.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -40.83 145.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.9 t0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.43 ' HG2' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.513 0.197 . . . . 0.0 111.011 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.7 p -118.76 97.87 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.61 HG22 ' CG2' ' A' ' 36' ' ' VAL . 2.6 pp -53.03 130.33 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.63 164.67 12.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 27' ' ' ILE . 2.5 pp -133.98 156.76 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.6 t70 -130.84 90.07 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 p -72.32 -8.77 56.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.19 -50.42 19.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -101.42 -23.04 14.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.47 22.29 27.07 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' ASP . 39.7 t -112.1 160.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.453 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.8 p -118.74 143.22 47.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.312 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 p -137.89 121.43 17.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.61 ' CG2' HG22 ' A' ' 25' ' ' ILE . 8.7 p -97.44 150.99 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.56 133.38 55.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -149.82 86.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' ILE . 16.5 pt-20 37.81 31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 154.56 62.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 p -39.29 125.56 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 109.949 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -166.21 48.36 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -132.18 173.17 11.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 175.0 129.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.571 ' HB3' HD11 ' A' ' 65' ' ' ILE . . . -158.92 165.72 17.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.547 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.5 Cg_endo -75.0 128.08 11.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.576 HG12 ' C ' ' A' ' 84' ' ' GLY . 55.7 t -63.63 -27.51 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -73.63 -4.3 33.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 t -116.72 34.37 5.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.975 HD13 HD22 ' A' ' 80' ' ' LEU . 80.2 mt -105.89 169.43 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.81 128.81 3.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.63 143.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.08 174.96 26.69 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.498 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 84.8 m -119.42 136.92 54.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -107.04 106.24 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -10.51 51.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.78 -40.71 89.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.58 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.48 13.81 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 49.61 50.04 18.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -133.26 164.05 27.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -88.15 142.11 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.7 m -126.36 162.51 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.888 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -121.83 143.02 49.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.888 ' N ' HD22 ' A' ' 63' ' ' LEU . 81.7 m-85 -119.26 122.74 42.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.579 HG22 HD11 ' A' ' 63' ' ' LEU . 12.2 tt -151.14 127.93 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.95 43.69 17.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 53.21 48.61 58.8 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.6 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -122.67 171.67 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -148.31 112.12 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.6 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -142.45 171.27 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.45 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -107.21 112.44 25.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.595 HG21 HG12 ' A' ' 25' ' ' ILE . 1.3 pt -103.13 171.12 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.1 163.02 28.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -57.09 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -58.08 -38.77 77.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.38 -37.29 86.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.559 ' HB2' HD11 ' A' ' 72' ' ' ILE . . . -70.32 -27.33 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -77.16 -34.77 56.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -67.75 -30.57 70.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.975 HD22 HD13 ' A' ' 50' ' ' LEU . 44.8 mt -60.48 -47.3 86.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.7 t -65.17 -50.94 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.83 -37.45 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.36 -33.11 75.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.576 ' C ' HG12 ' A' ' 47' ' ' VAL . . . 129.26 43.24 0.22 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.532 ' HB3' ' C ' ' A' ' 80' ' ' LEU . . . -110.28 156.59 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.72 149.88 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -127.53 106.56 9.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -121.36 -11.36 8.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.498 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER -52.01 -32.64 34.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.27 -62.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -81.49 58.86 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.648 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 92' ' ' LEU . 3.1 tm? -111.6 90.46 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 40.0 mmm -111.23 -62.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 57.52 176.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.41 136.27 57.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.485 ' HG2' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.481 0.181 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.92 107.29 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.767 HD13 HD21 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -63.09 139.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.89 161.3 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.566 HD11 HD23 ' A' ' 80' ' ' LEU . 10.3 mm -135.13 131.74 52.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 6.3 t0 -121.32 89.75 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -34.94 65.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -48.89 -51.14 31.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -96.98 -27.14 14.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 91.3 26.37 21.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 34.8 t -117.6 159.24 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.605 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.7 p -124.75 143.0 51.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 108.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.9 p -142.46 116.69 9.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.404 HG23 ' HA ' ' A' ' 25' ' ' ILE . 11.6 p -97.25 148.61 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 3.2 pt-20 -111.87 131.36 55.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.425 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 3.7 mt -149.98 86.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 38' ' ' ILE . 1.9 mm-40 79.4 24.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.66 40.52 5.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -99.65 98.0 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -81.37 54.52 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -176.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.544 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.26 124.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -157.18 160.01 30.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.29 20.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.683 HG13 HD12 ' A' ' 50' ' ' LEU . 79.3 t -63.36 -24.57 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -73.54 -5.25 38.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.7 t -120.28 42.64 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.861 HD13 HD22 ' A' ' 80' ' ' LEU . 87.0 mt -107.72 169.84 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.62 134.14 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.422 HD11 ' O ' ' A' ' 77' ' ' ALA . 3.2 mt -107.05 142.85 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.07 178.94 19.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.5 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 42.0 m -126.94 139.02 53.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ARG . 3.4 t0 -102.74 100.13 10.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.8 -13.4 55.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -40.87 91.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.37 10.59 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 54.7 50.9 14.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.4 mt -129.94 162.84 27.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.6 p -80.27 145.04 32.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.48 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 1.4 m -127.3 169.21 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.98 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -117.32 137.11 52.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.98 ' N ' HD22 ' A' ' 63' ' ' LEU . 2.7 m-85 -120.0 115.73 24.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.453 HG22 HD11 ' A' ' 63' ' ' LEU . 12.4 tt -137.01 100.52 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.17 73.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.24 57.86 7.71 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -129.87 159.07 37.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -151.89 105.47 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.54 ' CD2' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -143.97 171.36 14.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -104.28 127.13 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.655 HG21 ' CG2' ' A' ' 25' ' ' ILE . 1.4 pt -118.23 171.22 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.38 145.76 54.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 9.2 pt-20 -59.57 -45.0 93.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 1.8 tp10 -68.93 -36.76 78.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.58 -27.02 62.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -74.72 -28.76 60.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.08 -42.98 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -59.29 -35.43 73.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.861 HD22 HD13 ' A' ' 50' ' ' LEU . 37.0 mt -54.77 -45.74 74.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.49 HG11 ' OD2' ' A' ' 87' ' ' ASP . 46.3 t -65.76 -48.82 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.35 -37.06 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.578 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -66.19 -23.4 66.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.97 15.79 6.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.532 ' HB3' ' C ' ' A' ' 80' ' ' LEU . . . -77.02 155.26 32.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -62.12 144.3 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.49 ' OD2' HG11 ' A' ' 81' ' ' VAL . 2.5 t0 -121.67 116.31 24.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -123.84 -10.45 7.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.5 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 2.6 mmm180 -73.43 -28.9 62.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.57 -168.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 42.47 42.63 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.582 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.69 131.17 35.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.5 mmt 59.56 148.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.76 168.25 13.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -144.29 -52.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.548 0.213 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.6 p -98.51 107.09 19.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.627 HD13 ' CG ' ' A' ' 80' ' ' LEU . 2.7 pp -60.32 142.68 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -105.5 164.9 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.624 HD11 HG21 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -138.97 132.87 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.507 ' H ' HD13 ' A' ' 27' ' ' ILE . 1.2 t70 -123.35 88.61 2.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.88 -29.95 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -49.6 -51.3 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -103.08 -26.79 12.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 96.23 17.89 32.99 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 45' ' ' ALA . 86.5 t -98.3 154.15 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.486 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.6 p -121.59 141.76 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 26.5 m -146.38 130.98 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.506 HG23 HG22 ' A' ' 25' ' ' ILE . 12.5 p -100.34 150.01 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -111.39 131.02 55.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -148.5 86.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 68.42 -63.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -124.3 70.27 0.46 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' GLY . 39.2 p -37.89 127.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 0.764 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -166.38 47.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.426 ' NE2' HD11 ' A' ' 38' ' ' ILE . 91.9 m-70 -123.27 173.22 8.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.589 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.22 123.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.496 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -163.22 163.72 16.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.473 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.1 Cg_endo -75.06 150.19 37.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.624 HG21 HD11 ' A' ' 27' ' ' ILE . 2.4 t -77.25 -28.8 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -73.05 -5.07 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.0 t -116.55 32.18 6.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.508 HD13 HD22 ' A' ' 80' ' ' LEU . 51.9 mt -100.53 170.48 8.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.98 135.28 6.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 77' ' ' ALA . 3.4 mt -106.1 138.54 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.25 178.74 19.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.501 ' OG1' ' CG ' ' A' ' 89' ' ' ARG . 86.3 m -123.05 143.22 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 110.363 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.456 ' HB2' HG13 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -108.12 100.77 10.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.5 -13.22 38.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.83 -41.37 86.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.38 9.21 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' ASP . 11.1 mtm180 56.67 50.47 12.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.0 mt -132.0 161.78 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -78.56 142.42 37.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 1.7 m -121.12 172.91 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.991 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -124.64 139.8 53.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.991 ' N ' HD22 ' A' ' 63' ' ' LEU . 4.3 m-85 -120.03 115.28 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.51 ' O ' HG23 ' A' ' 65' ' ' ILE . 14.1 tt -133.26 100.6 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.82 68.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 52.51 57.13 14.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -128.47 160.39 32.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.436 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -151.6 105.5 3.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER -145.86 171.59 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.47 123.99 47.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.557 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.52 HG21 HG21 ' A' ' 25' ' ' ILE . 3.3 pt -118.25 170.99 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 146.22 55.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.49 -57.15 13.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.14 -42.31 69.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.466 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -64.17 -43.69 94.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.492 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -60.28 -31.08 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -76.06 -38.79 56.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -30.57 71.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.627 ' CG ' HD13 ' A' ' 25' ' ' ILE . 44.3 mt -63.47 -47.72 80.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.535 HG21 ' CG ' ' A' ' 87' ' ' ASP . 2.3 t -60.07 -54.52 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.8 t -54.29 -36.84 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 27' ' ' ILE . . . -63.48 -32.57 74.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.57 42.03 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.94 159.18 17.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.3 tp10 -69.18 142.63 54.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.535 ' CG ' HG21 ' A' ' 81' ' ' VAL . 3.0 t0 -121.81 117.57 26.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.422 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 30.3 mm-40 -122.04 -11.26 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.501 ' CG ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER -91.13 -30.71 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.454 ' O ' HD22 ' A' ' 92' ' ' LEU . 0.3 OUTLIER 51.63 -168.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.342 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 71.19 -66.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.454 HD22 ' O ' ' A' ' 90' ' ' ARG . 3.2 mm? 49.4 -174.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.0 128.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.73 120.87 35.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -121.92 168.62 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.467 ' HG2' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.463 0.173 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.4 99.78 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.696 HD13 HD11 ' A' ' 80' ' ' LEU . 2.6 pp -60.92 133.37 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.54 163.26 14.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.66 HD12 ' O ' ' A' ' 27' ' ' ILE . 2.5 pp -138.91 156.49 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.4 t0 -134.97 92.34 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -28.52 62.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.87 -49.97 64.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -99.84 -30.48 12.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 101.27 15.46 27.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' ASP . 79.0 t -105.66 155.52 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 p -126.27 142.18 51.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 p -144.78 131.95 20.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -100.57 156.42 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 41' ' ' SER . 2.1 pt-20 -115.63 132.8 56.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -141.69 87.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 9.9 pt-20 44.95 25.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . 156.52 59.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 12.0 p -38.27 135.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.68 44.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -120.18 -177.85 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.656 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.75 127.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.686 ' HB3' HD11 ' A' ' 65' ' ' ILE . . . -158.9 159.26 29.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.69 16.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.517 HG13 HD12 ' A' ' 50' ' ' LEU . 41.9 t -62.17 -27.03 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -75.1 -2.89 29.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.5 t -116.43 35.57 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.672 HD13 HD22 ' A' ' 80' ' ' LEU . 52.0 mt -105.08 165.58 10.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.47 131.71 4.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.725 HG22 ' HB3' ' A' ' 89' ' ' ARG . 3.2 mt -106.28 141.7 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.16 170.74 26.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.6 m -123.06 136.07 54.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -97.34 103.17 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.78 -11.49 46.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.244 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -38.7 92.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.2 9.57 4.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' ASP . 4.5 mtp180 53.83 52.4 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -130.31 161.51 31.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -87.72 139.96 30.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.58 172.59 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.782 ' C ' HD13 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -133.99 143.71 48.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.781 ' H ' HD22 ' A' ' 63' ' ' LEU . 13.2 m-85 -119.11 135.02 54.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.686 HD11 ' HB3' ' A' ' 45' ' ' ALA . 16.8 tt -157.35 105.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 2.1 t70 79.01 32.67 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.07 44.18 78.31 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.534 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -116.26 172.15 7.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' NE ' ' OD2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -151.25 109.89 3.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.499 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -144.69 170.9 15.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.42 ' N ' HD12 ' A' ' 70' ' ' LEU . 14.1 m-70 -99.74 120.95 40.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.515 HG21 HG21 ' A' ' 25' ' ' ILE . 13.0 pt -112.52 166.48 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.69 151.03 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.05 -56.96 15.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.03 -43.31 77.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.495 ' HB3' HD11 ' A' ' 25' ' ' ILE . 4.1 m-20 -62.47 -37.14 84.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.495 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -64.67 -30.62 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -77.03 -41.88 40.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -29.13 70.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.696 HD11 HD13 ' A' ' 25' ' ' ILE . 14.7 mt -61.75 -42.44 98.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.726 HG21 ' OD2' ' A' ' 87' ' ' ASP . 79.4 t -69.11 -46.5 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.3 t -56.91 -37.46 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.3 -32.99 74.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.03 40.74 0.3 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -101.65 158.58 15.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.25 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.59 148.53 46.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.726 ' OD2' HG21 ' A' ' 81' ' ' VAL . 1.8 t0 -129.53 102.52 6.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -121.83 -11.03 8.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.725 ' HB3' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -49.89 -30.22 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 179.51 -68.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.42 173.27 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 109.625 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.716 ' HG ' HG11 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -164.6 142.37 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.78 157.9 32.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.89 144.51 43.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -152.88 125.3 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.1 t0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.514 0.197 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.4 p -93.68 124.82 37.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.788 HD13 ' HG ' ' A' ' 80' ' ' LEU . 2.4 pp -70.23 143.23 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.84 164.11 18.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.952 HD13 ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -139.18 150.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.952 ' N ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -131.57 92.46 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -31.36 63.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.9 -51.16 66.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -94.85 -24.64 16.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 86.39 23.89 41.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 4.7 t -110.82 164.1 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.45 0.735 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.655 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.7 p -119.41 142.71 47.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 t -146.03 117.23 7.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.042 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.564 HG23 HG22 ' A' ' 25' ' ' ILE . 9.7 p -97.22 151.01 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -92.33 145.87 24.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.415 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -162.02 168.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -46.91 -24.67 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 41' ' ' SER . . . -141.3 60.5 0.55 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' GLY . 27.8 t -39.27 127.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.19 48.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.39 176.74 4.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.21 126.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.682 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -173.82 171.38 1.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.682 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.3 Cg_endo -75.02 139.63 24.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.655 HG22 ' HB3' ' A' ' 34' ' ' CYS . 90.6 t -75.35 -25.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -75.4 -2.9 30.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.1 m -116.68 37.86 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.843 HD13 HD22 ' A' ' 80' ' ' LEU . 45.3 mt -103.84 170.25 8.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -161.76 138.14 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.705 ' CD1' HG23 ' A' ' 81' ' ' VAL . 2.9 mt -104.27 140.52 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.476 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -139.13 176.15 21.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.4 m -130.17 143.33 50.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.8 OUTLIER -105.33 104.57 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.04 -13.41 35.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.5 -40.28 86.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.22 9.47 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' ASP . 2.0 mtt-85 54.47 51.82 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -130.25 159.48 36.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.7 m -84.57 143.48 29.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.694 HG11 ' HD3' ' A' ' 69' ' ' ARG . 3.3 m -127.02 179.01 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.738 HD22 ' H ' ' A' ' 64' ' ' TYR . 1.5 tm? -122.66 142.28 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.738 ' H ' HD22 ' A' ' 63' ' ' LEU . 1.6 m-85 -119.07 123.67 45.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.47 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 17.5 tt -148.79 109.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 9.3 t0 80.2 17.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.07 34.17 24.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -109.19 171.59 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.694 ' HD3' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -143.96 108.32 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.424 ' CD2' ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -130.59 171.54 12.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -100.42 123.87 45.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.563 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.538 HD13 ' HB2' ' A' ' 63' ' ' LEU . 5.2 pt -123.01 165.12 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.96 146.65 53.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 13.7 pt-20 -63.75 -47.53 80.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 5.8 tt0 -64.17 -37.92 89.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -41.19 77.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.527 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -56.91 -35.27 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -77.75 -37.62 48.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -68.45 -31.81 71.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.843 HD22 HD13 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -63.31 -51.83 64.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.705 HG23 ' CD1' ' A' ' 52' ' ' ILE . 2.2 t -55.36 -54.68 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.6 t -51.16 -34.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -64.01 -27.45 69.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.28 -11.84 2.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' A' ' 81' ' ' VAL . . . -57.02 149.03 19.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -69.21 148.22 50.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.602 ' OD2' HD22 ' A' ' 92' ' ' LEU . 6.5 t0 -128.09 112.41 14.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 31.1 mm-40 -121.0 -11.9 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.476 ' HD3' ' CA ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -65.72 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 75.53 -55.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 92' ' ' LEU . 9.5 t-160 -56.41 -58.0 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.602 HD22 ' OD2' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -40.52 104.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.65 -53.2 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 65.05 115.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.02 165.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.533 0.206 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.3 p -72.33 140.61 48.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.716 ' C ' HD12 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -84.91 143.02 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.608 ' N ' HD12 ' A' ' 25' ' ' ILE . 1.4 tp10 -122.58 162.69 21.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.6 HG21 ' HB1' ' A' ' 83' ' ' ALA . 15.7 mm -143.57 144.31 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLY . 1.4 t0 -128.86 90.84 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 t -73.3 -32.09 64.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -49.96 -49.92 48.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -100.76 -22.81 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 88.77 24.7 31.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 23.2 t -108.57 160.56 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.841 ' SG ' HD21 ' A' ' 50' ' ' LEU . 1.7 p -126.41 142.25 51.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -149.01 128.51 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.4 p -97.1 151.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.28 144.55 27.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.402 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -157.15 169.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -42.46 -27.82 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -143.12 70.83 0.4 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 40' ' ' GLY . 12.5 t -39.29 125.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.038 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.38 48.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.67 177.55 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.635 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.39 125.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.262 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.638 ' HB3' HD11 ' A' ' 65' ' ' ILE . . . -170.3 162.97 6.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.4 Cg_endo -75.01 142.15 27.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.726 HG22 ' HB3' ' A' ' 34' ' ' CYS . 4.8 t -74.05 -24.5 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.81 -1.66 29.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 t -126.53 48.23 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.841 HD21 ' SG ' ' A' ' 34' ' ' CYS . 98.8 mt -111.17 164.44 12.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -161.75 138.23 8.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.619 ' CD1' HG23 ' A' ' 81' ' ' VAL . 3.0 mt -100.77 140.2 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.99 173.47 14.74 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -120.45 134.3 55.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 110.415 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.612 ' HB3' HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -104.39 96.15 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.98 -12.42 49.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -39.56 94.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.592 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.36 12.97 4.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.3 ttt180 50.77 49.76 20.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.612 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -130.51 163.55 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.43 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 7.9 m -80.41 145.34 32.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -125.95 174.3 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.718 ' C ' HD23 ' A' ' 63' ' ' LEU . 3.3 tt -106.47 125.44 51.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.682 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -116.75 120.93 40.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.638 HD11 ' HB3' ' A' ' 45' ' ' ALA . 13.5 tt -146.35 129.89 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.88 15.65 7.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.99 40.9 8.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.27 169.72 8.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 0.739 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' C ' ' CD ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -138.56 120.28 15.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.492 HD21 HD13 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -138.75 171.35 14.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.417 ' O ' HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -101.25 123.69 45.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.585 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.489 HG21 HG22 ' A' ' 25' ' ' ILE . 4.2 pt -126.46 170.98 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -77.57 146.62 36.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.0 -57.03 12.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.02 -42.16 93.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 25' ' ' ILE . 1.4 t0 -66.42 -27.09 67.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -74.21 -29.07 61.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.562 ' OE1' HD12 ' A' ' 92' ' ' LEU . 1.9 tt0 -75.97 -45.13 36.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -32.93 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.646 ' HG ' HD13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -53.75 -44.57 70.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.717 HG21 ' CG ' ' A' ' 87' ' ' ASP . 3.5 t -72.06 -49.65 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.0 t -51.39 -35.88 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.6 ' HB1' HG21 ' A' ' 27' ' ' ILE . . . -62.52 -23.97 67.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 128.79 -0.63 6.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -70.14 153.73 42.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -64.94 150.95 46.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.717 ' CG ' HG21 ' A' ' 81' ' ' VAL . 3.7 t0 -122.44 115.08 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -123.36 -10.96 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.43 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -72.2 -24.87 61.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 46.34 -167.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 41.26 33.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.562 HD12 ' OE1' ' A' ' 78' ' ' GLN . 0.1 OUTLIER -69.18 99.85 1.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.99 153.88 17.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -165.6 -65.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.09 122.74 15.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.7 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.5 p -101.14 103.28 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.652 ' C ' HD12 ' A' ' 25' ' ' ILE . 1.6 pp -53.25 143.03 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -113.82 161.42 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 27' ' ' ILE . 22.2 mm -125.36 135.32 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 6.1 t0 -126.22 89.84 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -73.08 -22.77 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.3 -50.74 38.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -111.68 -24.36 10.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.54 12.35 41.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 45' ' ' ALA . 80.6 t -95.34 155.32 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.592 ' SG ' HD11 ' A' ' 50' ' ' LEU . 3.6 p -114.25 143.56 44.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.247 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -139.2 113.27 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.455 ' CG2' HG22 ' A' ' 25' ' ' ILE . 9.4 p -96.96 151.87 4.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.48 146.59 27.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -157.72 169.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.66 -27.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -141.98 70.63 0.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.46 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 6.2 t -39.27 133.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 41' ' ' SER . 1.6 mtp180 175.52 47.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.493 ' CE1' ' HE3' ' A' ' 68' ' ' LYS . 20.0 m170 -125.63 174.22 8.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.618 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 4.6 mtp180 163.92 133.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.471 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -172.3 163.61 4.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.4 Cg_endo -74.97 141.87 27.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 t -69.34 -25.6 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -77.13 -0.57 25.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -127.07 34.8 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.835 HD13 HD22 ' A' ' 80' ' ' LEU . 67.8 mt -104.02 177.91 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.0 132.8 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.59 HD12 HG23 ' A' ' 81' ' ' VAL . 2.9 mt -107.45 140.96 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.77 179.02 22.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 84.8 m -120.8 142.36 49.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 110.415 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' NH2' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -104.51 100.36 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.86 -11.31 45.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.58 -40.58 92.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.49 9.28 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 57.44 50.47 11.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -132.38 161.42 33.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -82.03 147.92 28.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 m -131.69 173.7 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.876 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -130.97 142.58 50.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.876 ' N ' HD22 ' A' ' 63' ' ' LEU . 12.9 m-85 -114.23 119.73 38.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.762 HG23 ' CE ' ' A' ' 68' ' ' LYS . 5.3 tt -129.76 140.6 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.61 -85.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . -165.04 28.3 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.762 ' CE ' HG23 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -128.83 165.59 20.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -124.57 142.57 51.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.57 171.44 18.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -98.58 121.9 41.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.54 HG21 HG21 ' A' ' 25' ' ' ILE . 2.3 pt -119.98 164.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.5 155.02 19.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 16.2 pt-20 -71.05 -50.05 38.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.454 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 11.4 pt-20 -62.32 -42.37 99.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -31.96 72.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -67.21 -31.56 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -75.85 -44.23 41.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -55.89 -32.04 63.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.835 HD22 HD13 ' A' ' 50' ' ' LEU . 3.6 mt -58.52 -43.05 89.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.59 HG23 HD12 ' A' ' 52' ' ' ILE . 42.8 t -65.43 -47.13 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.49 -37.24 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.25 75.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.23 42.27 0.24 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.411 ' HB3' ' C ' ' A' ' 80' ' ' LEU . . . -105.93 155.83 18.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.423 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -63.39 149.47 45.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -125.17 112.62 16.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.423 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 23.5 mm-40 -122.09 -11.24 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -31.09 68.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.43 -61.61 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -76.3 68.51 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.611 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.419 HD13 ' C ' ' A' ' 92' ' ' LEU . 3.3 tm? -110.45 111.31 22.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.406 ' O ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -46.8 123.76 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -125.88 82.37 2.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -69.03 -54.95 12.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.413 ' HG2' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.496 0.189 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.01 120.32 32.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.04 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.736 HG21 HD13 ' A' ' 72' ' ' ILE . 1.2 pp -72.04 141.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -120.26 164.34 16.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.49 HD11 ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -130.17 150.0 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 3.2 t0 -129.37 88.96 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -24.3 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.48 -51.3 60.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -107.27 -27.76 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 104.19 9.91 35.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 76.7 t -93.8 165.11 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.503 0.766 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.68 ' SG ' HG23 ' A' ' 47' ' ' VAL . 7.9 m -127.58 141.87 51.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 108.276 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 8.8 p -142.23 123.04 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.5 p -97.06 157.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -101.23 147.48 26.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.416 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -161.76 168.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -41.4 -28.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -141.76 61.88 0.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 t -45.84 128.31 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 179.84 48.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.41 179.0 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.63 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.496 ' CG ' HG11 ' A' ' 33' ' ' VAL . 9.9 ttm180 -179.76 127.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -173.05 149.45 1.78 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 142.4 27.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.777 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.68 HG23 ' SG ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -53.83 -39.39 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -62.37 -12.73 22.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -112.68 25.65 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.95 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.534 HD12 ' CG2' ' A' ' 47' ' ' VAL . 50.7 mt -102.23 -178.94 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.445 ' HA ' ' CB ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -162.51 130.54 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.738 HD12 HG23 ' A' ' 81' ' ' VAL . 3.2 mt -106.71 140.51 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.65 178.85 20.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.6 m -126.52 139.84 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -103.25 109.32 20.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.3 -10.2 56.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.52 -39.61 94.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.334 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.615 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.56 13.39 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 51.27 49.71 20.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.165 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -130.19 164.31 24.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.6 m -82.94 145.54 29.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 m -125.36 168.36 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.992 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -126.53 140.03 52.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.992 ' N ' HD22 ' A' ' 63' ' ' LEU . 18.5 m-85 -120.45 110.87 17.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 65' ' ' ILE . 8.2 tt -120.85 100.29 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 60.72 73.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.38 55.93 14.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -126.45 162.33 25.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -151.19 104.7 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.595 HD21 HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -148.49 171.34 16.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.764 ' HB2' HD11 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -108.26 109.0 20.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 109.573 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.736 HD13 HG21 ' A' ' 25' ' ' ILE . 12.1 pt -95.76 165.41 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.74 145.16 35.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -56.57 19.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.81 -42.26 75.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.66 -42.92 85.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.45 70.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -76.7 -39.56 51.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -34.47 77.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.651 ' CD2' HD13 ' A' ' 25' ' ' ILE . 13.7 mt -57.2 -45.16 84.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.738 HG23 HD12 ' A' ' 52' ' ' ILE . 54.6 t -69.22 -46.25 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.17 -36.91 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.49 ' HB1' HD11 ' A' ' 27' ' ' ILE . . . -68.21 -32.93 73.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.424 ' C ' HG13 ' A' ' 47' ' ' VAL . . . 125.38 39.62 0.43 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.67 160.92 14.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 0.757 . . . . 0.0 109.313 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' CB ' ' HA ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -61.97 142.12 57.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.428 ' OD1' HG11 ' A' ' 81' ' ' VAL . 4.3 t0 -125.05 95.96 4.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -120.02 -10.87 9.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.654 ' HB3' HG22 ' A' ' 52' ' ' ILE . 1.6 ptm180 -48.09 -31.16 5.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.43 -51.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.43 -69.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.575 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.415 HD12 ' OD1' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -169.33 -61.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -178.49 165.53 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -117.06 163.63 15.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -126.8 160.13 31.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.516 0.198 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.3 p -106.87 110.51 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.642 HG21 HG21 ' A' ' 72' ' ' ILE . 2.1 pp -59.9 143.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.4 tp10 -119.41 163.02 17.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.252 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.43 HG21 ' HB2' ' A' ' 83' ' ' ALA . 39.4 mm -137.59 148.26 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -131.85 89.75 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 p -73.25 -31.55 64.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.87 -50.22 69.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.94 -20.63 18.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 82.99 35.37 18.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 3.4 t -125.29 164.08 25.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 0.74 . . . . 0.0 109.244 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.506 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.6 p -124.99 141.91 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 5.0 t -139.3 122.91 17.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.406 HG22 HG22 ' A' ' 25' ' ' ILE . 42.4 t -97.03 151.51 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.447 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 4.3 mt-10 -108.75 132.08 54.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 1.9 mt -151.35 86.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 40.92 47.92 2.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.14 52.43 1.48 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -99.99 123.83 44.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -114.05 46.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -179.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.96 122.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -165.33 163.68 13.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.2 Cg_endo -75.05 144.03 29.58 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.3 t -66.9 -27.45 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -75.15 -2.99 30.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 m -115.58 34.93 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.035 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.731 HD13 HD23 ' A' ' 80' ' ' LEU . 83.3 mt -104.2 172.34 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' CB ' ' HB2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.33 128.8 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.85 HD12 HG23 ' A' ' 81' ' ' VAL . 2.9 mt -109.57 141.26 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.0 175.23 26.49 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.531 1.145 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 60' ' ' LEU . 17.3 m -139.17 143.17 38.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.49 116.03 31.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.01 -8.02 45.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -42.9 84.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.023 ' HB3' HD12 ' A' ' 60' ' ' LEU . . . -134.47 13.11 3.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 55.84 45.52 24.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.023 HD12 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -118.69 163.41 16.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.1 m -95.19 150.66 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.89 171.13 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.803 HD22 ' H ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -134.92 143.76 47.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.803 ' H ' HD22 ' A' ' 63' ' ' LEU . 52.6 m-85 -119.03 133.16 55.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 16.4 tt -156.33 102.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 5.3 t0 82.41 37.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.38 40.44 99.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.57 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -113.78 173.29 6.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.88 113.36 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.57 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -144.84 171.43 14.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.453 ' N ' HD12 ' A' ' 70' ' ' LEU . 1.1 m-70 -104.05 124.16 48.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.579 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.642 HG21 HG21 ' A' ' 25' ' ' ILE . 10.2 pt -115.24 170.69 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.429 ' CB ' ' HB2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -64.8 146.03 55.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.66 -57.12 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.93 -37.44 76.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.429 ' HB2' ' CB ' ' A' ' 73' ' ' SER . 1.0 OUTLIER -68.62 -31.32 70.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.587 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -69.61 -30.17 67.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -76.05 -44.21 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -57.89 -29.66 65.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.731 HD23 HD13 ' A' ' 50' ' ' LEU . 1.3 mt -61.18 -41.65 97.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.85 HG23 HD12 ' A' ' 52' ' ' ILE . 22.2 t -67.54 -48.48 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.0 t -54.84 -37.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 27' ' ' ILE . . . -63.79 -25.94 68.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.56 19.2 5.83 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -78.97 157.62 28.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.46 149.5 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.498 ' OD1' ' CD1' ' A' ' 92' ' ' LEU . 6.6 t0 -133.6 102.39 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -119.43 -13.63 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.467 ' HD3' ' CG2' ' A' ' 52' ' ' ILE . 29.9 ptt180 -75.93 -21.31 57.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.35 -168.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.5 t60 79.61 -71.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.629 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.498 ' CD1' ' OD1' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 50.12 69.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.98 90.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 61.57 120.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -116.02 133.99 55.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.457 ' HG3' HG22 ' A' ' 38' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.458 0.17 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.415 ' HA ' ' OD1' ' A' ' 76' ' ' ASP . 39.6 p -114.42 132.57 56.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.614 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -78.6 143.14 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -114.51 163.74 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.1 mm -138.3 142.29 35.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -128.62 89.41 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 m -73.89 -45.93 47.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.66 -51.22 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -87.87 -25.01 23.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 77.49 54.67 4.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 2.9 t -147.79 164.39 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.837 ' SG ' HD21 ' A' ' 50' ' ' LEU . 1.8 p -117.28 143.12 46.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 108.259 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 85.3 p -146.03 118.42 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.81 150.46 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -108.73 124.78 51.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.2 pp -146.87 86.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 9.2 tp10 67.28 -60.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -126.24 67.92 0.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' GLY . 16.2 t -37.57 135.18 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.53 45.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -100.26 173.11 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -175.16 119.46 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -168.6 159.38 8.47 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.75 20.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.435 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 55.6 t -68.29 -26.44 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -75.8 -1.58 25.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.9 m -126.73 48.27 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.837 HD21 ' SG ' ' A' ' 34' ' ' CYS . 96.5 mt -111.35 164.65 12.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.65 138.73 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.633 HD12 HG23 ' A' ' 81' ' ' VAL . 3.4 mt -108.49 142.86 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.81 179.08 16.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.493 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 86.5 m -125.49 142.17 51.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.451 ' CB ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -110.88 105.5 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.9 -9.59 55.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.31 -36.9 77.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.508 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.42 15.05 4.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' ASP . 51.0 mtp180 45.05 48.92 9.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -128.21 164.13 23.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.6 m -85.3 140.71 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.844 HG11 ' HE ' ' A' ' 69' ' ' ARG . 3.3 m -119.96 168.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.972 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -122.52 138.1 54.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.972 ' N ' HD22 ' A' ' 63' ' ' LEU . 4.0 m-85 -119.12 111.47 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 5.7 tt -127.08 112.3 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 3.6 t0 79.56 13.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.6 31.71 20.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.895 ' HD2' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -105.52 172.86 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.844 ' HE ' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -137.32 115.92 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.908 HD21 HD12 ' A' ' 63' ' ' LEU . 1.2 pt? -136.62 171.35 14.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 2.0 p-80 -110.26 114.91 28.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.55 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 77' ' ' ALA . 4.8 pt -113.64 166.28 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -64.88 144.93 56.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.99 -57.56 9.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.63 -40.61 88.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.561 ' CB ' HD12 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -65.12 -30.49 71.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.494 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -71.08 -30.01 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -77.26 -38.81 50.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -66.58 -32.27 73.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.463 HD12 HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -56.77 -46.63 81.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.633 HG23 HD12 ' A' ' 52' ' ' ILE . 3.0 t -66.51 -50.31 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.0 t -51.1 -35.89 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.1 -24.48 67.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 132.49 -4.79 5.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -65.6 150.76 47.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.426 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.9 OUTLIER -65.44 149.87 49.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.558 ' CG ' HG21 ' A' ' 81' ' ' VAL . 5.1 t0 -121.05 108.63 14.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.426 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 30.1 mm-40 -121.49 -11.22 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.493 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 0.1 OUTLIER -49.11 -45.26 43.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.46 -56.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.12 167.57 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.628 HD11 ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -81.83 137.54 35.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -51.28 11.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.48 147.66 32.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.49 112.15 14.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.437 ' HG3' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.499 0.19 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -115.41 100.44 8.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.825 HD13 HD11 ' A' ' 80' ' ' LEU . 1.5 pp -53.04 126.64 9.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 35' ' ' SER . 4.1 tp10 -94.56 164.94 12.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.48 HD11 ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -139.14 127.91 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 1.8 t0 -117.07 88.5 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.98 -19.78 60.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.92 -51.2 70.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -99.7 -30.98 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.77 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 101.73 25.78 7.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 94.7 t -118.57 154.92 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.989 ' SG ' HG22 ' A' ' 47' ' ' VAL . 52.9 m -127.2 143.84 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.266 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 71.2 m -146.41 129.02 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.534 ' HB ' HG22 ' A' ' 25' ' ' ILE . 12.6 p -96.88 149.4 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 3.1 pt-20 -109.48 135.54 50.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.464 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 2.0 mt -149.35 88.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 11.8 pt-20 44.49 27.64 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.248 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.58 57.26 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.402 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 43.8 p -39.67 123.8 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.753 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -157.85 48.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.23 175.04 7.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.579 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.79 127.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.712 ' HB3' HD11 ' A' ' 65' ' ' ILE . . . -163.79 155.53 14.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 144.84 30.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.989 HG22 ' SG ' ' A' ' 34' ' ' CYS . 2.7 t -65.54 -25.97 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -78.34 0.55 25.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 m -120.21 35.45 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.572 HD13 HD22 ' A' ' 80' ' ' LEU . 75.0 mt -106.85 168.41 9.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.09 129.0 3.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.527 HD12 ' CG2' ' A' ' 81' ' ' VAL . 3.2 mt -106.47 141.39 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.41 176.22 21.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -119.85 133.14 55.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.78 ' HB3' HD23 ' A' ' 60' ' ' LEU . 32.8 t0 -104.95 96.79 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.94 -12.73 39.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -58.92 -40.81 85.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.585 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.35 14.05 4.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 49.16 49.99 18.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.78 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -130.29 164.26 25.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.4 p -84.91 139.92 31.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.04 160.85 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.881 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -123.55 142.42 51.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.881 ' N ' HD22 ' A' ' 63' ' ' LEU . 46.5 m-85 -118.91 129.66 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 45' ' ' ALA . 13.9 tt -151.13 104.02 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 1.1 t70 82.68 34.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.6 42.7 97.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.563 1.164 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.529 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -118.66 174.11 6.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.378 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.401 ' NH2' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -151.12 115.42 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.437 ' CD1' ' HG3' ' A' ' 23' ' ' MET . 0.1 OUTLIER -141.01 168.46 19.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.428 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -99.86 108.75 21.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.527 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 1.7 pt -102.99 169.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.11 144.91 50.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 9.5 pt-20 -55.72 -46.64 77.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 13.0 pt-20 -63.15 -42.42 99.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.62 ' HB3' HD11 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -64.86 -36.2 83.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.527 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . . . -67.72 -29.72 69.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.637 ' HA ' HD12 ' A' ' 92' ' ' LEU . 21.9 tp60 -77.42 -36.52 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -67.0 -31.85 72.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.825 HD11 HD13 ' A' ' 25' ' ' ILE . 18.0 mt -61.78 -48.89 78.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.527 ' CG2' HD12 ' A' ' 52' ' ' ILE . 75.6 t -61.64 -51.43 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.517 HG23 HE21 ' A' ' 78' ' ' GLN . 42.0 t -54.16 -36.3 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.731 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -67.36 -21.97 65.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.23 8.5 8.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.56 ' HB3' ' C ' ' A' ' 80' ' ' LEU . . . -68.49 154.32 42.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -58.18 151.52 18.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -133.05 100.34 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -121.71 -10.75 8.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -49.38 -48.8 46.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 177.89 -59.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 175.32 65.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 78' ' ' GLN . 0.5 OUTLIER -42.3 111.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.97 142.35 30.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -169.88 104.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.57 155.13 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.5 t0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.358 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.3 tpp . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.506 0.193 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.32 135.92 52.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.068 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.564 HG21 HG21 ' A' ' 72' ' ' ILE . 1.8 pp -78.46 143.02 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.4 tp10 -115.08 163.57 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.1 tp -131.45 150.51 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -129.37 91.0 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -56.74 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.26 -51.06 47.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -78.41 -26.25 46.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 73.23 59.17 4.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -158.24 173.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.629 ' N ' HG13 ' A' ' 33' ' ' VAL . 1.4 p -124.69 140.43 52.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 13.0 m -146.57 124.71 12.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 25' ' ' ILE . 47.3 t -96.82 150.11 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 3.4 pt-20 -106.21 137.33 44.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.44 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 2.2 mt -150.75 92.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 12.4 pt-20 42.88 47.09 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.93 51.76 2.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 t -107.28 113.65 27.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 0.774 . . . . 0.0 109.965 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 ttt-85 -100.03 50.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -178.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.633 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -179.79 125.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.725 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -161.67 163.52 19.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.3 Cg_endo -74.97 142.95 28.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.466 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 3.4 t -70.69 -27.78 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -73.48 -4.52 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.0 m -117.54 34.06 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.739 HD13 HD22 ' A' ' 80' ' ' LEU . 68.3 mt -101.54 171.54 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.6 129.3 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.779 HD12 HG23 ' A' ' 81' ' ' VAL . 2.7 mt -108.73 141.11 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.9 179.02 22.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.2 m -131.25 134.91 46.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 59' ' ' ARG . 2.1 t0 -97.15 101.04 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.02 -12.86 42.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -39.73 90.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.12 9.55 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.8 ttt180 54.45 52.12 12.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -130.12 160.82 32.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 p -84.43 141.83 30.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.584 HG11 ' HE ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -128.23 162.06 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.959 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -122.7 139.9 53.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.959 ' N ' HD22 ' A' ' 63' ' ' LEU . 5.1 m-30 -119.18 110.66 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.487 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 13.7 tt -130.68 102.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 5.9 t0 81.79 49.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.26 44.21 43.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.563 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -116.1 176.45 5.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 109.377 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.584 ' HE ' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -150.94 114.66 4.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.563 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -143.32 171.26 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -104.01 120.99 42.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.658 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.564 HG21 HG21 ' A' ' 25' ' ' ILE . 1.5 pt -119.38 166.4 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 10.8 t -70.08 154.2 42.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.61 -57.25 7.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.92 -45.02 60.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.35 -26.91 62.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.493 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -72.33 -30.38 64.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.33 -46.24 28.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.69 -30.04 54.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.36 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.739 HD22 HD13 ' A' ' 50' ' ' LEU . 14.2 mt -60.97 -41.06 95.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.779 HG23 HD12 ' A' ' 52' ' ' ILE . 24.1 t -67.19 -51.95 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.52 -36.83 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.28 73.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.27 38.68 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.57 156.18 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.78 150.13 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.488 ' OD1' ' CD1' ' A' ' 92' ' ' LEU . 8.1 t0 -132.86 99.33 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -120.04 -12.42 9.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -73.32 -22.77 60.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.99 -161.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 65.65 -85.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.571 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.488 ' CD1' ' OD1' ' A' ' 87' ' ' ASP . 0.2 OUTLIER 58.13 75.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.24 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 ptm -41.41 144.2 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -155.28 158.8 39.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 58.05 164.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.9 ttp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.53 0.205 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.8 m -118.54 102.15 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.672 HD12 ' O ' ' A' ' 25' ' ' ILE . 2.8 pp -54.86 124.35 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -103.13 160.95 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.802 HD12 ' O ' ' A' ' 27' ' ' ILE . 2.0 pp -125.11 156.44 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.3 OUTLIER -132.84 91.56 2.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -73.21 -46.4 50.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.948 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -51.16 66.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -29.88 38.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 81.91 45.47 7.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.024 HG22 ' O ' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -144.95 173.82 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.763 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.6 p -127.05 141.17 51.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 108.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 p -147.38 138.24 23.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 p -110.31 151.36 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -110.65 128.01 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.0 OUTLIER -144.17 86.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 68.42 -62.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -119.86 74.33 0.32 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' GLY . 27.4 p -37.93 124.43 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 110.047 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.01 49.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.48 165.83 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -177.82 118.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 1.024 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -150.82 167.82 12.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.599 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.0 Cg_endo -75.05 144.97 30.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.763 HG22 ' HB3' ' A' ' 34' ' ' CYS . 61.2 t -85.14 -28.45 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.26 -4.01 33.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 t -118.57 31.73 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.973 HD13 HD22 ' A' ' 80' ' ' LEU . 62.5 mt -99.11 175.48 5.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.13 129.4 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.414 HD11 ' O ' ' A' ' 77' ' ' ALA . 3.3 mt -105.77 144.34 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.7 175.24 25.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.5 m -123.54 137.23 54.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 110.432 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.505 ' HB3' HD23 ' A' ' 60' ' ' LEU . 5.9 t0 -106.76 103.46 12.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.18 -11.32 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.64 -40.8 84.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.623 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.39 13.46 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 51.89 50.1 19.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -131.58 164.09 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 p -84.05 149.64 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.935 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.461 HG21 ' CZ ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -129.77 169.14 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.86 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -128.0 142.1 51.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.86 ' N ' HD22 ' A' ' 63' ' ' LEU . 8.6 m-85 -118.98 125.78 50.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 11.3 tt -146.03 109.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 6.2 t0 78.91 22.21 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.28 34.94 44.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -111.31 170.51 8.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.461 ' CZ ' HG21 ' A' ' 62' ' ' VAL . 4.0 tpp85 -137.68 121.14 17.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.587 HD21 HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -145.31 171.45 14.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.49 ' HB2' HD11 ' A' ' 60' ' ' LEU . 1.8 p80 -105.45 118.37 36.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.589 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.8 pt -112.65 170.3 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.56 144.94 45.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 12.6 pt-20 -54.53 -48.73 71.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.453 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 13.2 pt-20 -63.69 -41.71 98.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.566 ' HB3' HD11 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -65.63 -30.06 70.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.414 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -70.89 -30.0 66.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.69 ' OE1' HG23 ' A' ' 82' ' ' VAL . 1.0 OUTLIER -77.0 -41.81 41.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -31.82 71.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.973 HD22 HD13 ' A' ' 50' ' ' LEU . 23.2 mt -59.98 -44.42 94.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.7 t -64.96 -48.49 83.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.69 HG23 ' OE1' ' A' ' 78' ' ' GLN . 49.6 t -58.45 -37.41 63.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.431 ' CB ' HG11 ' A' ' 47' ' ' VAL . . . -65.95 -31.73 72.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.07 40.39 0.41 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.32 158.22 16.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 0.73 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.409 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -67.71 144.63 55.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -126.68 108.79 11.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.409 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 15.7 mm-40 -120.85 -12.44 8.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -14.38 62.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER 55.99 -162.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 68.86 -67.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 109.628 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 90' ' ' ARG . 0.2 OUTLIER -41.52 114.5 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.38 138.28 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.29 115.92 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -81.05 168.14 18.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.48 ' HG2' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.531 0.205 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.6 t -99.6 142.55 30.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.98 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.633 ' C ' HD12 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -90.22 127.74 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.0 tp10 -105.03 162.9 12.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.4 mm -141.94 141.78 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.76 92.26 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -56.51 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -51.09 62.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.9 mp0 -72.64 -29.09 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.83 57.4 3.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 45' ' ' ALA . 0.5 OUTLIER -161.3 173.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.885 ' SG ' HD21 ' A' ' 50' ' ' LEU . 1.8 p -126.8 143.17 51.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 43.9 p -144.83 121.53 11.17 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.44 HG21 HD13 ' A' ' 63' ' ' LEU . 12.0 p -96.95 152.53 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.447 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 2.7 mt-10 -106.57 131.23 53.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 1.9 mt -151.21 86.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' ILE . 7.0 pt-20 38.12 45.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.35 51.73 1.04 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' ARG . 35.6 t -94.95 -65.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 41' ' ' SER . 26.1 mtt-85 38.28 40.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -172.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -154.2 114.13 3.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.719 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -149.09 159.56 36.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.55 17.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.562 1.822 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.499 HG22 ' HB3' ' A' ' 34' ' ' CYS . 3.4 t -60.31 -26.12 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -77.64 -0.35 26.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.6 t -125.45 44.28 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.885 HD21 ' SG ' ' A' ' 34' ' ' CYS . 53.8 mt -106.62 169.54 8.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.23 138.19 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.782 HD12 HG23 ' A' ' 81' ' ' VAL . 3.3 mt -108.87 144.72 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.23 176.66 18.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.155 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.6 m -131.19 135.03 47.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.898 ' HB3' HD23 ' A' ' 60' ' ' LEU . 32.4 t70 -109.32 99.7 8.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.9 -8.78 47.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -69.37 -35.4 75.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.51 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -132.25 15.04 4.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 46.68 49.13 14.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.898 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -133.85 164.44 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.5 m -86.73 152.88 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 71' ' ' HIS . 2.8 m -125.02 174.46 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.755 HD23 ' N ' ' A' ' 64' ' ' TYR . 3.2 tt -116.38 128.23 55.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.755 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -113.92 111.15 21.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.528 HD12 HD23 ' A' ' 50' ' ' LEU . 3.8 tp -121.88 122.97 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.33 -72.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . -170.16 37.67 0.19 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.496 ' CG ' ' N ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -120.66 168.8 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.496 ' N ' ' CG ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -145.45 121.2 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.48 HD12 ' HG2' ' A' ' 23' ' ' MET . 0.3 OUTLIER -136.36 170.6 15.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.407 ' HA ' HG12 ' A' ' 62' ' ' VAL . 8.7 m-70 -94.83 121.66 36.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.584 HD13 HG21 ' A' ' 25' ' ' ILE . 1.7 pt -119.35 170.29 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.95 153.8 42.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -57.24 12.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -56.74 -42.59 79.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -35.77 81.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -65.56 -30.81 71.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -77.06 -40.68 45.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -61.55 -34.29 75.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.621 ' HG ' HD13 ' A' ' 25' ' ' ILE . 1.4 mt -53.4 -45.13 69.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.969 HG21 ' OD1' ' A' ' 87' ' ' ASP . 3.5 t -68.55 -50.46 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.8 t -51.88 -36.73 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.8 -23.06 67.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.53 9.5 8.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -71.5 158.1 36.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.764 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.27 150.18 49.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.969 ' OD1' HG21 ' A' ' 81' ' ' VAL . 2.7 t0 -127.62 106.19 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -121.74 -11.47 8.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -35.66 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.02 -61.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.85 159.01 26.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.451 ' HG ' ' CG1' ' A' ' 81' ' ' VAL . 0.4 OUTLIER -83.65 140.34 32.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.1 mtt 58.93 111.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.14 109.65 15.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -101.15 115.26 30.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.59 ' HG3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.508 0.194 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.0 p -77.46 141.12 39.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.709 HD13 ' HG ' ' A' ' 80' ' ' LEU . 1.2 pp -95.82 141.23 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.7 tp10 -110.29 163.32 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' ' 27' ' ' ILE . 19.6 mm -136.66 133.31 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -120.76 88.86 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.43 -42.42 62.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.91 -51.1 31.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -90.08 -23.73 21.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 78.68 38.58 23.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 2.8 t -126.13 164.45 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.913 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.9 p -116.57 142.34 47.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 108.321 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 42.0 m -149.26 119.64 7.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.485 HG23 HG22 ' A' ' 25' ' ' ILE . 10.6 p -97.95 150.68 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 2.9 mt-10 -106.27 128.99 54.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.59 HG23 ' HG3' ' A' ' 23' ' ' MET . 0.2 OUTLIER -153.96 86.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' ILE . 2.8 pt-20 32.03 69.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.45 64.29 1.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 t -114.24 123.9 50.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -124.07 47.38 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -177.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.603 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.8 127.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.665 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -171.07 170.52 2.84 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.665 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.4 Cg_endo -74.98 126.95 10.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.913 HG22 ' HB3' ' A' ' 34' ' ' CYS . 46.1 t -68.92 -20.26 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -79.82 -3.94 49.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 t -127.27 50.01 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.557 HD21 ' SG ' ' A' ' 34' ' ' CYS . 91.7 mt -110.98 176.02 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -161.4 136.96 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.552 HD12 HG23 ' A' ' 81' ' ' VAL . 3.6 mt -111.16 144.64 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.49 179.34 18.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 60' ' ' LEU . 15.7 m -143.03 142.33 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.388 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -94.4 111.6 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.23 -7.47 47.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.58 -35.13 65.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.65 13.29 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' ASP . 8.0 mtm180 48.32 45.45 20.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 54' ' ' THR . 13.6 mt -113.8 163.1 15.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.43 147.99 23.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 71' ' ' HIS . 2.5 m -132.62 172.89 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.873 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -134.42 143.15 47.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.873 ' N ' HD22 ' A' ' 63' ' ' LEU . 14.8 m-85 -119.07 124.53 47.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.432 HG23 ' HG2' ' A' ' 68' ' ' LYS . 16.7 tt -130.09 124.61 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.26 -65.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . 177.21 37.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HG2' HG23 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -116.71 172.52 7.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.68 125.69 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.51 171.83 18.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.426 ' HA ' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -107.9 130.7 55.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.536 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.585 HG21 ' CG2' ' A' ' 25' ' ' ILE . 1.4 pt -120.6 168.93 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.74 145.3 56.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.68 -38.89 79.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -71.41 -39.3 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.406 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 1.8 m-20 -70.99 -28.42 64.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.487 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -71.91 -30.03 64.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 82' ' ' VAL . 0.0 OUTLIER -77.17 -42.91 35.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -29.78 68.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.709 ' HG ' HD13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -58.24 -46.46 85.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.62 HG21 ' OD2' ' A' ' 87' ' ' ASP . 21.9 t -71.2 -47.62 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 78' ' ' GLN . 51.2 t -50.57 -35.88 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.99 -29.29 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 143.0 -13.04 2.37 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -56.51 156.61 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.561 ' O ' HG22 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -73.42 152.12 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.62 ' OD2' HG21 ' A' ' 81' ' ' VAL . 2.2 t0 -132.85 103.94 6.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -122.32 -10.34 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.482 ' HG2' HG22 ' A' ' 52' ' ' ILE . 1.4 ptt180 -64.73 -28.09 69.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -149.72 -176.09 5.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -70.89 -40.58 72.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.619 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.513 HD13 ' C ' ' A' ' 92' ' ' LEU . 2.0 tm? 52.12 97.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.9 mtm 62.33 86.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.82 79.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -60.19 -50.85 72.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.4 t0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.512 0.196 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.5 p -98.69 130.99 45.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.814 HG12 HD12 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -89.2 140.91 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -130.42 163.35 27.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.624 HG23 HG21 ' A' ' 47' ' ' VAL . 16.7 mm -135.78 151.02 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.381 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -126.41 90.34 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -35.31 66.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -49.35 -51.07 36.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -96.64 -22.58 16.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 86.91 15.83 62.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.573 ' C ' HG23 ' A' ' 47' ' ' VAL . 3.2 t -99.98 164.38 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.608 ' HB3' HD11 ' A' ' 50' ' ' LEU . 7.2 p -105.04 143.8 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.263 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 12.1 t -143.41 112.77 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.721 HG23 ' HA ' ' A' ' 25' ' ' ILE . 15.0 p -115.68 148.45 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.439 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -93.5 139.13 31.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -164.67 169.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 39' ' ' GLU . 2.0 pt-20 -54.71 88.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 92.53 53.89 1.9 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' GLY . 7.8 p -39.45 127.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.787 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -169.46 47.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -117.68 178.58 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.658 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 169.43 129.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.915 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -174.93 -178.65 0.36 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.915 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.2 Cg_endo -75.0 144.3 30.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.624 HG21 HG23 ' A' ' 27' ' ' ILE . 2.9 t -79.2 -28.64 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.19 -2.74 29.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.449 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 3.2 t -118.47 40.22 3.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 34' ' ' CYS . 39.5 mt -109.6 156.42 20.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -141.42 149.83 41.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.664 ' CD1' HG23 ' A' ' 81' ' ' VAL . 3.1 mt -112.92 144.68 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.479 ' C ' ' CG2' ' A' ' 62' ' ' VAL . . . -119.08 174.42 15.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 m -125.05 133.97 52.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.74 ' HB3' HD23 ' A' ' 60' ' ' LEU . 11.2 t0 -107.5 100.51 9.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.31 -12.86 46.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -58.91 -41.44 87.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.617 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.53 13.34 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 51.22 50.57 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.74 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -130.91 163.15 28.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.06 156.83 26.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.479 ' CG2' ' C ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -132.74 179.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.727 ' C ' HD23 ' A' ' 63' ' ' LEU . 3.1 tt -111.98 124.89 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.679 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -119.13 110.94 17.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.534 HG23 ' HG2' ' A' ' 68' ' ' LYS . 3.1 tt -131.85 125.65 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 t70 68.75 9.45 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.29 29.64 16.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HG2' HG23 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -101.4 172.08 7.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.472 ' CZ ' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -137.6 120.63 16.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -143.21 169.97 16.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.437 ' O ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -97.52 125.84 42.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.577 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.752 HD11 ' HB2' ' A' ' 77' ' ' ALA . 1.1 pt -128.61 170.04 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.25 149.73 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.039 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.04 -35.54 81.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.26 -37.06 63.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.442 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 1.8 m-20 -72.42 -28.34 62.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.752 ' HB2' HD11 ' A' ' 72' ' ' ILE . . . -71.19 -30.58 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -77.05 -43.59 33.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -68.13 -29.61 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.814 HD12 HG12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -55.12 -46.35 75.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.664 HG23 ' CD1' ' A' ' 52' ' ' ILE . 8.2 t -71.54 -47.93 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.7 t -50.93 -35.74 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.592 ' HB1' HG21 ' A' ' 27' ' ' ILE . . . -66.01 -27.67 68.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 138.16 -9.34 3.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -58.5 150.42 22.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.29 150.84 45.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.536 ' CG ' HG21 ' A' ' 81' ' ' VAL . 2.6 t0 -123.18 112.99 18.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -123.06 -10.93 8.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -30.71 70.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -154.96 -170.36 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 110.254 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -103.68 61.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.626 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 95' ' ' ASP . 0.2 OUTLIER -42.69 -53.66 4.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.56 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 6.2 mmt 48.15 97.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 93' ' ' MET . . . 74.39 82.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.586 ' HA ' HD12 ' A' ' 92' ' ' LEU . 2.5 p-10 -53.81 130.79 38.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.526 ' SD ' ' CE1' ' A' ' 71' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.535 0.207 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.07 131.63 44.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.643 HD13 ' HG ' ' A' ' 80' ' ' LEU . 1.4 pp -73.66 143.05 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -119.75 162.14 19.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.448 HD11 HD23 ' A' ' 80' ' ' LEU . 12.7 mm -141.36 149.49 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLY . 4.1 t0 -130.14 89.71 2.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 p -72.98 -26.21 61.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -50.8 71.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -99.08 -20.23 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 87.17 18.98 56.68 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.464 1.103 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 3.7 t -102.73 163.34 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.6 p -127.44 142.51 51.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 108.361 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 18.4 t -148.79 128.1 12.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.418 HG21 HD21 ' A' ' 70' ' ' LEU . 10.6 p -99.03 151.16 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -107.36 131.75 53.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.61 HD11 HD22 ' A' ' 70' ' ' LEU . 6.2 mt -148.02 86.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' ILE . 7.3 pt-20 37.48 37.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.78 61.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 t -39.46 124.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 110.018 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -155.6 48.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -122.91 175.35 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.599 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.77 123.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -175.01 166.65 2.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.3 Cg_endo -75.0 142.57 28.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.46 HG22 ' HB3' ' A' ' 34' ' ' CYS . 2.9 t -60.95 -23.36 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -78.38 0.15 26.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.14 34.23 5.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.524 HD13 HD22 ' A' ' 80' ' ' LEU . 76.4 mt -107.1 163.54 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.44 136.73 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.717 ' CD1' HG23 ' A' ' 81' ' ' VAL . 3.5 mt -102.21 140.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.58 179.1 18.1 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.542 1.152 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.502 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 63.7 m -124.66 143.03 50.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.466 ' HB3' HD23 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -115.74 102.76 10.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.91 -10.65 54.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -39.8 92.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.62 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.21 13.48 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 52.11 49.67 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -133.14 163.87 28.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.6 p -85.06 145.26 27.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 m -121.2 171.34 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.933 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.47 145.16 49.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.933 ' N ' HD22 ' A' ' 63' ' ' LEU . 3.8 m-85 -116.88 116.58 27.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 65' ' ' ILE . 4.5 tp -127.85 108.24 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 9.7 t0 81.99 -4.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.5 15.58 12.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 170.28 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 115.63 15.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.61 HD22 HD11 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -136.28 171.22 14.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.526 ' CE1' ' SD ' ' A' ' 23' ' ' MET . 12.2 p80 -103.19 115.48 30.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.615 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.589 HD11 ' CB ' ' A' ' 77' ' ' ALA . 1.3 pt -110.82 171.24 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.98 152.79 39.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.64 -57.21 13.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.15 -38.71 80.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.53 -27.95 68.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.589 ' CB ' HD11 ' A' ' 72' ' ' ILE . . . -75.14 -28.1 60.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -43.29 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -66.1 -30.58 71.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.643 ' HG ' HD13 ' A' ' 25' ' ' ILE . 3.7 mt -56.85 -45.58 82.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.717 HG23 ' CD1' ' A' ' 52' ' ' ILE . 18.8 t -69.35 -48.11 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.9 t -52.32 -37.03 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.04 -23.33 67.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.33 2.78 7.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -67.28 155.95 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.407 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -67.58 144.4 55.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.609 ' OD1' HG21 ' A' ' 81' ' ' VAL . 3.0 t0 -116.41 110.38 18.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.407 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 38.2 mm-40 -122.54 -10.74 8.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.502 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.774 ' HB3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.532 0.206 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.7 m -100.2 106.37 18.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.8 HD13 ' HG ' ' A' ' 80' ' ' LEU . 2.9 pp -53.05 142.24 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -109.66 164.21 12.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.427 HD11 HG11 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -144.05 139.33 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.4 89.62 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -73.24 -39.92 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.19 -51.02 35.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -90.2 -27.1 19.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.58 23.99 34.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 13.7 t -111.81 161.78 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.97 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.6 p -127.19 142.81 51.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 108.295 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 26.8 t -148.97 135.19 19.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.63 HG22 HG22 ' A' ' 25' ' ' ILE . 71.6 t -98.8 158.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HA ' ' CB ' ' A' ' 41' ' ' SER . 5.4 mt-10 -112.32 133.79 54.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.774 HG23 ' HB3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -162.2 86.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ILE . 11.3 pt-20 35.9 53.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' SER . . . 157.39 -39.12 0.55 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' GLY . 51.6 p 36.39 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.64 49.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.35 179.03 4.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.66 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -178.53 121.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -171.59 167.74 3.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.1 Cg_endo -75.06 141.95 27.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.97 HG22 ' HB3' ' A' ' 34' ' ' CYS . 78.2 t -75.38 -27.27 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -74.63 -3.51 31.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.7 t -118.65 41.53 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.789 HD13 HD22 ' A' ' 80' ' ' LEU . 33.6 mt -103.78 167.84 9.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.32 131.01 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 3.3 mt -109.42 145.06 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.22 178.8 23.68 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.44 ' OG1' ' NE ' ' A' ' 89' ' ' ARG . 89.3 m -118.91 137.44 53.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.499 ' OD2' ' CZ ' ' A' ' 69' ' ' ARG . 0.5 OUTLIER -101.93 99.16 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.43 -14.25 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.88 -41.13 86.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.28 9.72 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.3 OUTLIER 55.38 51.48 12.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -131.22 162.74 29.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -82.8 136.84 34.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.482 HG13 ' HB2' ' A' ' 55' ' ' ASP . 14.8 m -120.9 164.35 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.734 ' C ' HD13 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -123.03 143.16 50.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.731 ' H ' HD22 ' A' ' 63' ' ' LEU . 17.9 m-85 -118.72 126.53 52.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.506 HD11 ' HB3' ' A' ' 45' ' ' ALA . 12.1 tt -147.28 112.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 0.8 OUTLIER 77.72 10.99 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.5 41.75 5.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HG2' HG23 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -116.1 171.78 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.499 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 0.3 OUTLIER -143.61 111.72 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.74 171.51 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -102.95 122.22 44.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.593 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.613 HG21 HG21 ' A' ' 25' ' ' ILE . 3.3 pt -119.12 163.74 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.04 149.78 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 75' ' ' GLU . 0.2 OUTLIER -66.85 -38.48 86.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 74' ' ' GLU . 4.2 tp10 -71.4 -37.72 71.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -70.86 -32.45 69.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.503 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -65.41 -32.61 74.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.29 -43.22 33.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -66.17 -31.02 71.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.8 ' HG ' HD13 ' A' ' 25' ' ' ILE . 1.1 mt -62.61 -48.33 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.7 t -61.94 -51.6 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.3 t -51.36 -35.42 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -63.92 -25.27 68.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 135.39 -6.85 4.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.03 152.72 31.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.449 ' O ' HG22 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -68.42 154.82 41.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -125.84 107.13 10.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.418 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 36.6 mm-40 -121.92 -10.22 8.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.44 ' NE ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 3.0 mpp? . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.467 0.175 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.6 p -59.09 114.11 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.88 HD13 ' HG ' ' A' ' 80' ' ' LEU . 2.7 pp -59.16 143.15 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -124.18 164.19 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.425 HD13 ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -135.6 142.2 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -130.06 88.88 2.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.4 t -73.22 -43.72 60.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -38.9 26.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -97.95 -27.49 14.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 82.64 37.9 13.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.684 ' C ' HG23 ' A' ' 47' ' ' VAL . 2.6 t -135.43 164.27 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.855 ' HB3' HG22 ' A' ' 47' ' ' VAL . 5.0 p -118.27 143.47 46.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 108.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 13.4 m -148.75 122.85 9.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.403 HG12 ' CG ' ' A' ' 43' ' ' HIS . 7.2 p -97.24 154.61 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.461 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -80.86 142.98 33.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.592 HD12 ' H ' ' A' ' 42' ' ' ARG . 1.8 mt -151.61 169.72 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.457 ' H ' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -40.22 -29.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 41' ' ' SER . . . -146.97 25.43 1.61 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.433 1.083 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 40' ' ' GLY . 34.5 p 35.81 89.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.969 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.592 ' H ' HD12 ' A' ' 38' ' ' ILE . 6.3 tpp180 -132.04 59.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.553 ' ND1' HD11 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -130.9 173.0 11.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.552 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 165.56 131.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -175.2 171.44 1.25 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.699 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.3 Cg_endo -75.04 131.69 14.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.802 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.855 HG22 ' HB3' ' A' ' 34' ' ' CYS . 25.0 t -70.21 -27.54 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -75.94 -2.37 30.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.426 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 1.6 t -121.7 45.27 2.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.79 HD13 HD22 ' A' ' 80' ' ' LEU . 83.1 mt -106.99 167.84 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.5 137.37 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.677 ' CD1' HG23 ' A' ' 81' ' ' VAL . 3.6 mt -111.04 141.52 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.37 173.7 21.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.2 m -120.91 134.87 55.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -96.57 98.05 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.66 -12.49 46.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.14 -39.13 91.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.19 9.61 4.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' ASP . 3.6 ttt-85 54.62 51.86 13.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.4 mt -130.19 161.05 32.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -82.92 144.41 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.462 HG11 ' HD3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -131.08 168.1 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -122.7 142.23 50.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.871 ' N ' HD22 ' A' ' 63' ' ' LEU . 2.5 m-85 -118.82 126.38 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.417 HD11 ' HB3' ' A' ' 45' ' ' ALA . 11.1 tt -148.67 115.14 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 4.4 t70 75.18 19.72 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.56 36.85 28.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.521 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -111.4 171.83 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.462 ' HD3' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -146.0 109.07 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.521 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -135.15 171.34 14.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -100.86 112.73 25.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.479 HG21 HG21 ' A' ' 25' ' ' ILE . 2.9 pt -112.53 165.33 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.79 146.8 40.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -57.36 8.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -53.06 -43.03 66.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.456 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -66.32 -42.54 88.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.163 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.496 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -57.25 -33.59 67.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -38.68 51.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.04 -31.79 71.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.88 ' HG ' HD13 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -60.93 -50.07 74.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 1.007 HG21 ' OD2' ' A' ' 87' ' ' ASP . 2.5 t -59.44 -53.15 52.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.9 t -51.27 -35.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -64.12 -26.8 68.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 140.87 -11.27 2.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 81' ' ' VAL . . . -60.08 150.93 27.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.673 ' O ' HG22 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -65.64 155.19 36.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 1.007 ' OD2' HG21 ' A' ' 81' ' ' VAL . 2.5 t70 -129.25 112.87 14.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.417 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 29.4 mm-40 -123.58 -10.58 7.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.405 ' HG2' HG23 ' A' ' 38' ' ' ILE . 11.0 mtm . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.461 0.172 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.432 ' C ' HG23 ' A' ' 36' ' ' VAL . 1.7 m -88.16 127.09 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.034 HD13 HD11 ' A' ' 80' ' ' LEU . 2.3 pp -86.61 134.21 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -107.54 164.35 12.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.874 HD11 HG21 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -130.9 136.55 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.632 ' H ' HD13 ' A' ' 27' ' ' ILE . 5.4 t0 -124.33 89.05 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -72.99 -24.96 60.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -51.03 65.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.39 -23.57 13.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 90.33 44.08 4.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' ASP . 53.8 t -136.83 159.29 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 0.727 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' ' 50' ' ' LEU . 2.1 p -116.9 143.1 46.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.308 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -139.36 114.49 9.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.432 HG23 ' C ' ' A' ' 24' ' ' SER . 7.2 p -96.84 152.8 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.65 148.23 25.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -160.47 169.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -41.05 -28.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -141.72 71.38 0.41 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 83.2 p -39.44 143.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 110.006 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.6 OUTLIER 162.93 44.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 167.14 12.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.612 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 171.87 132.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.28 159.51 10.51 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 125.74 9.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.874 HG21 HD11 ' A' ' 27' ' ' ILE . 39.7 t -57.88 -26.35 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -76.09 -1.92 28.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -125.15 33.26 5.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.491 HD11 ' SG ' ' A' ' 34' ' ' CYS . 61.2 mt -101.45 176.89 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HA ' ' CB ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -161.86 129.85 4.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 mt -106.83 138.37 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.44 179.11 17.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.3 m -122.23 133.63 54.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 110.394 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.801 ' HB3' HD23 ' A' ' 60' ' ' LEU . 17.3 t70 -105.62 96.38 6.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.83 -12.71 38.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.89 -40.03 83.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.63 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.25 14.02 4.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.66 50.12 19.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.32 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.801 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -132.77 163.17 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.409 ' OG ' ' NE ' ' A' ' 89' ' ' ARG . 5.9 m -88.78 139.67 30.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.4 m -120.04 156.08 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.886 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -115.54 143.85 44.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.886 ' N ' HD22 ' A' ' 63' ' ' LEU . 10.0 m-85 -119.01 128.95 54.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 8.2 tt -146.58 106.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 4.9 t0 81.58 18.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.86 40.03 12.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.59 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -115.56 170.97 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.72 111.24 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.59 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -141.14 171.46 14.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.509 ' N ' HD12 ' A' ' 70' ' ' LEU . 64.6 m-70 -97.4 114.07 25.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.593 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.437 HG21 HG21 ' A' ' 25' ' ' ILE . 3.4 pt -110.42 164.14 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.84 145.56 54.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -56.52 18.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.53 -42.73 67.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.473 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -63.21 -45.32 92.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.24 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -77.12 -38.05 52.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -63.6 -34.16 77.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.034 HD11 HD13 ' A' ' 25' ' ' ILE . 75.0 mt -62.27 -49.5 75.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 t -54.49 -56.77 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.5 t -54.45 -36.7 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.43 ' CB ' HG11 ' A' ' 47' ' ' VAL . . . -64.82 -32.96 74.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.23 42.35 0.22 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.86 157.04 18.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.1 tp10 -63.8 152.77 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -132.42 107.01 8.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 16.6 mm-40 -120.85 -11.88 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' NE ' ' OG ' ' A' ' 61' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.43 ' HG2' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.513 0.197 . . . . 0.0 111.011 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.7 p -118.76 97.87 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.61 HG22 ' CG2' ' A' ' 36' ' ' VAL . 2.6 pp -53.03 130.33 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.63 164.67 12.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.671 ' O ' HD12 ' A' ' 27' ' ' ILE . 2.5 pp -133.98 156.76 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.6 t70 -130.84 90.07 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 p -72.32 -8.77 56.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.19 -50.42 19.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -101.42 -23.04 14.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.47 22.29 27.07 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' ASP . 39.7 t -112.1 160.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.453 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.8 p -118.74 143.22 47.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.312 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 p -137.89 121.43 17.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.61 ' CG2' HG22 ' A' ' 25' ' ' ILE . 8.7 p -97.44 150.99 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.56 133.38 55.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -149.82 86.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' ILE . 16.5 pt-20 37.81 31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 154.56 62.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 p -39.29 125.56 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 109.949 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -166.21 48.36 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -132.18 173.17 11.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 175.0 129.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.571 ' HB3' HD11 ' A' ' 65' ' ' ILE . . . -158.92 165.72 17.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.547 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.5 Cg_endo -75.0 128.08 11.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.576 HG12 ' C ' ' A' ' 84' ' ' GLY . 55.7 t -63.63 -27.51 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -73.63 -4.3 33.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 t -116.72 34.37 5.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.975 HD13 HD22 ' A' ' 80' ' ' LEU . 80.2 mt -105.89 169.43 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.81 128.81 3.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.63 143.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.08 174.96 26.69 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.498 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 84.8 m -119.42 136.92 54.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -107.04 106.24 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -10.51 51.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.78 -40.71 89.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.58 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.48 13.81 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 49.61 50.04 18.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -133.26 164.05 27.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -88.15 142.11 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.7 m -126.36 162.51 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.888 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -121.83 143.02 49.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.888 ' N ' HD22 ' A' ' 63' ' ' LEU . 81.7 m-85 -119.26 122.74 42.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.579 HG22 HD11 ' A' ' 63' ' ' LEU . 12.2 tt -151.14 127.93 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.95 43.69 17.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 53.21 48.61 58.8 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.6 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -122.67 171.67 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -148.31 112.12 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.6 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -142.45 171.27 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.45 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -107.21 112.44 25.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.595 HG21 HG12 ' A' ' 25' ' ' ILE . 1.3 pt -103.13 171.12 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.1 163.02 28.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -57.09 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -58.08 -38.77 77.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.38 -37.29 86.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.559 ' HB2' HD11 ' A' ' 72' ' ' ILE . . . -70.32 -27.33 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -77.16 -34.77 56.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -67.75 -30.57 70.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.975 HD22 HD13 ' A' ' 50' ' ' LEU . 44.8 mt -60.48 -47.3 86.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.7 t -65.17 -50.94 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.83 -37.45 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.36 -33.11 75.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.576 ' C ' HG12 ' A' ' 47' ' ' VAL . . . 129.26 43.24 0.22 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.532 ' HB3' ' C ' ' A' ' 80' ' ' LEU . . . -110.28 156.59 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.72 149.88 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -127.53 106.56 9.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -121.36 -11.36 8.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.498 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.485 ' HG2' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.481 0.181 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.92 107.29 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.767 HD13 HD21 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -63.09 139.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.89 161.3 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.566 HD11 HD23 ' A' ' 80' ' ' LEU . 10.3 mm -135.13 131.74 52.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 6.3 t0 -121.32 89.75 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -34.94 65.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -48.89 -51.14 31.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -96.98 -27.14 14.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 91.3 26.37 21.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 34.8 t -117.6 159.24 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.605 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.7 p -124.75 143.0 51.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 108.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.9 p -142.46 116.69 9.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.404 HG23 ' HA ' ' A' ' 25' ' ' ILE . 11.6 p -97.25 148.61 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 3.2 pt-20 -111.87 131.36 55.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.425 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 3.7 mt -149.98 86.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 38' ' ' ILE . 1.9 mm-40 79.4 24.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.66 40.52 5.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -99.65 98.0 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -81.37 54.52 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -176.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.544 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.26 124.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -157.18 160.01 30.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.29 20.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.683 HG13 HD12 ' A' ' 50' ' ' LEU . 79.3 t -63.36 -24.57 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -73.54 -5.25 38.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.7 t -120.28 42.64 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.861 HD13 HD22 ' A' ' 80' ' ' LEU . 87.0 mt -107.72 169.84 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.62 134.14 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.422 HD11 ' O ' ' A' ' 77' ' ' ALA . 3.2 mt -107.05 142.85 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.07 178.94 19.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.5 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 42.0 m -126.94 139.02 53.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ARG . 3.4 t0 -102.74 100.13 10.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.8 -13.4 55.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -40.87 91.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.37 10.59 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 54.7 50.9 14.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.4 mt -129.94 162.84 27.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.6 p -80.27 145.04 32.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.48 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 1.4 m -127.3 169.21 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.98 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -117.32 137.11 52.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.98 ' N ' HD22 ' A' ' 63' ' ' LEU . 2.7 m-85 -120.0 115.73 24.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.453 HG22 HD11 ' A' ' 63' ' ' LEU . 12.4 tt -137.01 100.52 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.17 73.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.24 57.86 7.71 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -129.87 159.07 37.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -151.89 105.47 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.54 ' CD2' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -143.97 171.36 14.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -104.28 127.13 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.655 HG21 ' CG2' ' A' ' 25' ' ' ILE . 1.4 pt -118.23 171.22 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.38 145.76 54.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 9.2 pt-20 -59.57 -45.0 93.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 1.8 tp10 -68.93 -36.76 78.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.58 -27.02 62.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -74.72 -28.76 60.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.08 -42.98 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -59.29 -35.43 73.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.861 HD22 HD13 ' A' ' 50' ' ' LEU . 37.0 mt -54.77 -45.74 74.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.49 HG11 ' OD2' ' A' ' 87' ' ' ASP . 46.3 t -65.76 -48.82 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.35 -37.06 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.578 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -66.19 -23.4 66.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.97 15.79 6.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.532 ' HB3' ' C ' ' A' ' 80' ' ' LEU . . . -77.02 155.26 32.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.1 tp10 -62.12 144.3 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.49 ' OD2' HG11 ' A' ' 81' ' ' VAL . 2.5 t0 -121.67 116.31 24.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 47.7 mm-40 -123.84 -10.45 7.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.5 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 2.6 mmm180 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.548 0.213 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.6 p -98.51 107.09 19.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.627 HD13 ' CG ' ' A' ' 80' ' ' LEU . 2.7 pp -60.32 142.68 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -105.5 164.9 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.624 HD11 HG21 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -138.97 132.87 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.507 ' H ' HD13 ' A' ' 27' ' ' ILE . 1.2 t70 -123.35 88.61 2.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.88 -29.95 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -49.6 -51.3 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -103.08 -26.79 12.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 96.23 17.89 32.99 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 45' ' ' ALA . 86.5 t -98.3 154.15 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.486 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.6 p -121.59 141.76 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 26.5 m -146.38 130.98 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.506 HG23 HG22 ' A' ' 25' ' ' ILE . 12.5 p -100.34 150.01 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -111.39 131.02 55.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -148.5 86.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 68.42 -63.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -124.3 70.27 0.46 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' GLY . 39.2 p -37.89 127.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 0.764 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -166.38 47.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.426 ' NE2' HD11 ' A' ' 38' ' ' ILE . 91.9 m-70 -123.27 173.22 8.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.589 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.22 123.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.496 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -163.22 163.72 16.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.473 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.1 Cg_endo -75.06 150.19 37.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.624 HG21 HD11 ' A' ' 27' ' ' ILE . 2.4 t -77.25 -28.8 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -73.05 -5.07 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.0 t -116.55 32.18 6.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.508 HD13 HD22 ' A' ' 80' ' ' LEU . 51.9 mt -100.53 170.48 8.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.98 135.28 6.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 77' ' ' ALA . 3.4 mt -106.1 138.54 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.25 178.74 19.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.501 ' OG1' ' CG ' ' A' ' 89' ' ' ARG . 86.3 m -123.05 143.22 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 110.363 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.456 ' HB2' HG13 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -108.12 100.77 10.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.5 -13.22 38.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.83 -41.37 86.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.38 9.21 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' ASP . 11.1 mtm180 56.67 50.47 12.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.0 mt -132.0 161.78 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -78.56 142.42 37.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 1.7 m -121.12 172.91 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.991 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -124.64 139.8 53.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.991 ' N ' HD22 ' A' ' 63' ' ' LEU . 4.3 m-85 -120.03 115.28 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.51 HG23 ' O ' ' A' ' 65' ' ' ILE . 14.1 tt -133.26 100.6 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.82 68.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 52.51 57.13 14.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -128.47 160.39 32.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.436 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -151.6 105.5 3.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER -145.86 171.59 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.47 123.99 47.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.557 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.52 HG21 HG21 ' A' ' 25' ' ' ILE . 3.3 pt -118.25 170.99 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 146.22 55.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.49 -57.15 13.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.14 -42.31 69.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.466 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -64.17 -43.69 94.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.492 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -60.28 -31.08 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -76.06 -38.79 56.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -30.57 71.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.627 ' CG ' HD13 ' A' ' 25' ' ' ILE . 44.3 mt -63.47 -47.72 80.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.535 HG21 ' CG ' ' A' ' 87' ' ' ASP . 2.3 t -60.07 -54.52 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.8 t -54.29 -36.84 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 27' ' ' ILE . . . -63.48 -32.57 74.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.57 42.03 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.94 159.18 17.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.3 tp10 -69.18 142.63 54.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.535 ' CG ' HG21 ' A' ' 81' ' ' VAL . 3.0 t0 -121.81 117.57 26.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.422 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 30.3 mm-40 -122.04 -11.26 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.501 ' CG ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.467 ' HG2' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.463 0.173 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.4 99.78 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.696 HD13 HD11 ' A' ' 80' ' ' LEU . 2.6 pp -60.92 133.37 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.54 163.26 14.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.66 ' O ' HD12 ' A' ' 27' ' ' ILE . 2.5 pp -138.91 156.49 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.4 t0 -134.97 92.34 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -28.52 62.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.87 -49.97 64.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -99.84 -30.48 12.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 101.27 15.46 27.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' ASP . 79.0 t -105.66 155.52 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 p -126.27 142.18 51.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 p -144.78 131.95 20.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -100.57 156.42 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 41' ' ' SER . 2.1 pt-20 -115.63 132.8 56.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -141.69 87.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 9.9 pt-20 44.95 25.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . 156.52 59.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 12.0 p -38.27 135.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.68 44.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -120.18 -177.85 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.656 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.75 127.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.686 ' HB3' HD11 ' A' ' 65' ' ' ILE . . . -158.9 159.26 29.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.69 16.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.517 HG13 HD12 ' A' ' 50' ' ' LEU . 41.9 t -62.17 -27.03 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -75.1 -2.89 29.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.5 t -116.43 35.57 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.672 HD13 HD22 ' A' ' 80' ' ' LEU . 52.0 mt -105.08 165.58 10.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.47 131.71 4.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.725 HG22 ' HB3' ' A' ' 89' ' ' ARG . 3.2 mt -106.28 141.7 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.16 170.74 26.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.6 m -123.06 136.07 54.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -97.34 103.17 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.78 -11.49 46.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.244 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -38.7 92.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.2 9.57 4.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' ASP . 4.5 mtp180 53.83 52.4 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -130.31 161.51 31.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -87.72 139.96 30.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.58 172.59 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.782 ' C ' HD13 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -133.99 143.71 48.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.781 ' H ' HD22 ' A' ' 63' ' ' LEU . 13.2 m-85 -119.11 135.02 54.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.686 HD11 ' HB3' ' A' ' 45' ' ' ALA . 16.8 tt -157.35 105.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 2.1 t70 79.01 32.67 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.07 44.18 78.31 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.534 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -116.26 172.15 7.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.426 ' NE ' ' OD2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -151.25 109.89 3.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.499 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -144.69 170.9 15.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.42 ' N ' HD12 ' A' ' 70' ' ' LEU . 14.1 m-70 -99.74 120.95 40.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.515 HG21 HG21 ' A' ' 25' ' ' ILE . 13.0 pt -112.52 166.48 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.69 151.03 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.05 -56.96 15.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.03 -43.31 77.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.495 ' HB3' HD11 ' A' ' 25' ' ' ILE . 4.1 m-20 -62.47 -37.14 84.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.495 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -64.67 -30.62 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -77.03 -41.88 40.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -29.13 70.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.696 HD11 HD13 ' A' ' 25' ' ' ILE . 14.7 mt -61.75 -42.44 98.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.726 HG21 ' OD2' ' A' ' 87' ' ' ASP . 79.4 t -69.11 -46.5 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.3 t -56.91 -37.46 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.3 -32.99 74.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.03 40.74 0.3 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -101.65 158.58 15.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.25 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.59 148.53 46.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.726 ' OD2' HG21 ' A' ' 81' ' ' VAL . 1.8 t0 -129.53 102.52 6.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -121.83 -11.03 8.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.725 ' HB3' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.514 0.197 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.4 p -93.68 124.82 37.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.788 HD13 ' HG ' ' A' ' 80' ' ' LEU . 2.4 pp -70.23 143.23 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.84 164.11 18.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.952 HD13 ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -139.18 150.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.952 ' N ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -131.57 92.46 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -31.36 63.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.9 -51.16 66.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -94.85 -24.64 16.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 86.39 23.89 41.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 4.7 t -110.82 164.1 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.45 0.735 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.655 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.7 p -119.41 142.71 47.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 t -146.03 117.23 7.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.042 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.564 HG23 HG22 ' A' ' 25' ' ' ILE . 9.7 p -97.22 151.01 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -92.33 145.87 24.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.415 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -162.02 168.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -46.91 -24.67 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 41' ' ' SER . . . -141.3 60.5 0.55 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' GLY . 27.8 t -39.27 127.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.19 48.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.39 176.74 4.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.21 126.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.682 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -173.82 171.38 1.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.682 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.3 Cg_endo -75.02 139.63 24.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.655 HG22 ' HB3' ' A' ' 34' ' ' CYS . 90.6 t -75.35 -25.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -75.4 -2.9 30.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.1 m -116.68 37.86 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.843 HD13 HD22 ' A' ' 80' ' ' LEU . 45.3 mt -103.84 170.25 8.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -161.76 138.14 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.705 ' CD1' HG23 ' A' ' 81' ' ' VAL . 2.9 mt -104.27 140.52 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.476 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -139.13 176.15 21.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.4 m -130.17 143.33 50.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.8 OUTLIER -105.33 104.57 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.04 -13.41 35.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.5 -40.28 86.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.22 9.47 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' ASP . 2.0 mtt-85 54.47 51.82 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -130.25 159.48 36.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.7 m -84.57 143.48 29.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.694 HG11 ' HD3' ' A' ' 69' ' ' ARG . 3.3 m -127.02 179.01 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.738 HD22 ' H ' ' A' ' 64' ' ' TYR . 1.5 tm? -122.66 142.28 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.738 ' H ' HD22 ' A' ' 63' ' ' LEU . 1.6 m-85 -119.07 123.67 45.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.47 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 17.5 tt -148.79 109.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 9.3 t0 80.2 17.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.07 34.17 24.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.453 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -109.19 171.59 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.694 ' HD3' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -143.96 108.32 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.424 ' CD2' ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -130.59 171.54 12.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -100.42 123.87 45.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.563 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.538 HD13 ' HB2' ' A' ' 63' ' ' LEU . 5.2 pt -123.01 165.12 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.96 146.65 53.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 13.7 pt-20 -63.75 -47.53 80.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 5.8 tt0 -64.17 -37.92 89.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -41.19 77.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.527 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -56.91 -35.27 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -77.75 -37.62 48.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -68.45 -31.81 71.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.843 HD22 HD13 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -63.31 -51.83 64.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.705 HG23 ' CD1' ' A' ' 52' ' ' ILE . 2.2 t -55.36 -54.68 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.6 t -51.16 -34.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -64.01 -27.45 69.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.28 -11.84 2.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' A' ' 81' ' ' VAL . . . -57.02 149.03 19.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -69.21 148.22 50.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -128.09 112.41 14.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 31.1 mm-40 -121.0 -11.9 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.476 ' HD3' ' CA ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.533 0.206 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.3 p -72.33 140.61 48.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.716 ' C ' HD12 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -84.91 143.02 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.608 ' N ' HD12 ' A' ' 25' ' ' ILE . 1.4 tp10 -122.58 162.69 21.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.6 HG21 ' HB1' ' A' ' 83' ' ' ALA . 15.7 mm -143.57 144.31 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLY . 1.4 t0 -128.86 90.84 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 t -73.3 -32.09 64.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -49.96 -49.92 48.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -100.76 -22.81 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 88.77 24.7 31.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 23.2 t -108.57 160.56 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.841 ' SG ' HD21 ' A' ' 50' ' ' LEU . 1.7 p -126.41 142.25 51.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -149.01 128.51 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.4 p -97.1 151.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.28 144.55 27.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.402 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -157.15 169.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -42.46 -27.82 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -143.12 70.83 0.4 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 40' ' ' GLY . 12.5 t -39.29 125.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.038 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.38 48.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.67 177.55 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.635 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.39 125.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.262 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.638 ' HB3' HD11 ' A' ' 65' ' ' ILE . . . -170.3 162.97 6.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.4 Cg_endo -75.01 142.15 27.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.726 HG22 ' HB3' ' A' ' 34' ' ' CYS . 4.8 t -74.05 -24.5 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.81 -1.66 29.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 t -126.53 48.23 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.841 HD21 ' SG ' ' A' ' 34' ' ' CYS . 98.8 mt -111.17 164.44 12.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -161.75 138.23 8.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.619 ' CD1' HG23 ' A' ' 81' ' ' VAL . 3.0 mt -100.77 140.2 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.99 173.47 14.74 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -120.45 134.3 55.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 110.415 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.612 ' HB3' HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -104.39 96.15 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.98 -12.42 49.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -39.56 94.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.592 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.36 12.97 4.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.3 ttt180 50.77 49.76 20.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.612 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -130.51 163.55 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.43 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 7.9 m -80.41 145.34 32.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -125.95 174.3 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.718 HD23 ' C ' ' A' ' 63' ' ' LEU . 3.3 tt -106.47 125.44 51.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.682 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -116.75 120.93 40.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.638 HD11 ' HB3' ' A' ' 45' ' ' ALA . 13.5 tt -146.35 129.89 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.88 15.65 7.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.99 40.9 8.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.27 169.72 8.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 0.739 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.466 ' CD ' ' C ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -138.56 120.28 15.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.492 HD21 HD13 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -138.75 171.35 14.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.417 ' O ' HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -101.25 123.69 45.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.585 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.489 HG21 HG22 ' A' ' 25' ' ' ILE . 4.2 pt -126.46 170.98 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -77.57 146.62 36.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.0 -57.03 12.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.02 -42.16 93.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 25' ' ' ILE . 1.4 t0 -66.42 -27.09 67.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -74.21 -29.07 61.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -75.97 -45.13 36.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -32.93 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.646 ' HG ' HD13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -53.75 -44.57 70.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.717 HG21 ' CG ' ' A' ' 87' ' ' ASP . 3.5 t -72.06 -49.65 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.0 t -51.39 -35.88 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.6 ' HB1' HG21 ' A' ' 27' ' ' ILE . . . -62.52 -23.97 67.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 128.79 -0.63 6.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -70.14 153.73 42.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.414 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.3 tp10 -64.94 150.95 46.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.717 ' CG ' HG21 ' A' ' 81' ' ' VAL . 3.7 t0 -122.44 115.08 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.414 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 56.6 mm-40 -123.36 -10.96 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.43 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.483 ' CE ' ' CE1' ' A' ' 71' ' ' HIS . 5.7 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.5 p -101.14 103.28 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.652 ' C ' HD12 ' A' ' 25' ' ' ILE . 1.6 pp -53.25 143.03 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -113.82 161.42 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 27' ' ' ILE . 22.2 mm -125.36 135.32 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 6.1 t0 -126.22 89.84 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -73.08 -22.77 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.3 -50.74 38.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -111.68 -24.36 10.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.54 12.35 41.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 45' ' ' ALA . 80.6 t -95.34 155.32 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.592 ' SG ' HD11 ' A' ' 50' ' ' LEU . 3.6 p -114.25 143.56 44.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.247 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -139.2 113.27 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.455 ' CG2' HG22 ' A' ' 25' ' ' ILE . 9.4 p -96.96 151.87 4.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.48 146.59 27.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -157.72 169.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.66 -27.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -141.98 70.63 0.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.46 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 6.2 t -39.27 133.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 41' ' ' SER . 1.6 mtp180 175.52 47.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.493 ' CE1' ' HE3' ' A' ' 68' ' ' LYS . 20.0 m170 -125.63 174.22 8.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.618 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 4.6 mtp180 163.92 133.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.471 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -172.3 163.61 4.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.4 Cg_endo -74.97 141.87 27.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 t -69.34 -25.6 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -77.13 -0.57 25.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -127.07 34.8 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.835 HD13 HD22 ' A' ' 80' ' ' LEU . 67.8 mt -104.02 177.91 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.0 132.8 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.59 HD12 HG23 ' A' ' 81' ' ' VAL . 2.9 mt -107.45 140.96 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.77 179.02 22.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 84.8 m -120.8 142.36 49.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 110.415 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' NH2' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -104.51 100.36 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.86 -11.31 45.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.58 -40.58 92.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.49 9.28 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 57.44 50.47 11.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -132.38 161.42 33.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -82.03 147.92 28.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 m -131.69 173.7 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.876 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -130.97 142.58 50.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.876 ' N ' HD22 ' A' ' 63' ' ' LEU . 12.9 m-85 -114.23 119.73 38.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.762 HG23 ' CE ' ' A' ' 68' ' ' LYS . 5.3 tt -129.76 140.6 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.61 -85.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . -165.04 28.3 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.762 ' CE ' HG23 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -128.83 165.59 20.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -124.57 142.57 51.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.57 171.44 18.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.483 ' CE1' ' CE ' ' A' ' 23' ' ' MET . 11.6 p80 -98.58 121.9 41.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.54 HG21 HG21 ' A' ' 25' ' ' ILE . 2.3 pt -119.98 164.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.5 155.02 19.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 16.2 pt-20 -71.05 -50.05 38.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.454 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 11.4 pt-20 -62.32 -42.37 99.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -31.96 72.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -67.21 -31.56 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -75.85 -44.23 41.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -55.89 -32.04 63.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.835 HD22 HD13 ' A' ' 50' ' ' LEU . 3.6 mt -58.52 -43.05 89.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.59 HG23 HD12 ' A' ' 52' ' ' ILE . 42.8 t -65.43 -47.13 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.49 -37.24 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.25 75.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.23 42.27 0.24 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.411 ' HB3' ' C ' ' A' ' 80' ' ' LEU . . . -105.93 155.83 18.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.423 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -63.39 149.47 45.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -125.17 112.62 16.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.423 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 23.5 mm-40 -122.09 -11.24 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.413 ' HG2' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.496 0.189 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.01 120.32 32.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.04 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.736 HG21 HD13 ' A' ' 72' ' ' ILE . 1.2 pp -72.04 141.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -120.26 164.34 16.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.49 HD11 ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -130.17 150.0 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 3.2 t0 -129.37 88.96 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -24.3 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.48 -51.3 60.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -107.27 -27.76 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 104.19 9.91 35.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 76.7 t -93.8 165.11 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.503 0.766 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.68 ' SG ' HG23 ' A' ' 47' ' ' VAL . 7.9 m -127.58 141.87 51.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 108.276 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 8.8 p -142.23 123.04 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.5 p -97.06 157.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -101.23 147.48 26.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.416 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -161.76 168.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -41.4 -28.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . -141.76 61.88 0.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 t -45.84 128.31 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 179.84 48.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.41 179.0 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.63 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.496 ' CG ' HG11 ' A' ' 33' ' ' VAL . 9.9 ttm180 -179.76 127.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -173.05 149.45 1.78 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 142.4 27.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.777 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.68 HG23 ' SG ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -53.83 -39.39 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -62.37 -12.73 22.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -112.68 25.65 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.95 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.534 HD12 ' CG2' ' A' ' 47' ' ' VAL . 50.7 mt -102.23 -178.94 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.445 ' HA ' ' CB ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -162.51 130.54 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.738 HD12 HG23 ' A' ' 81' ' ' VAL . 3.2 mt -106.71 140.51 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.65 178.85 20.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.6 m -126.52 139.84 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -103.25 109.32 20.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.3 -10.2 56.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.52 -39.61 94.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.334 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.615 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.56 13.39 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 51.27 49.71 20.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.165 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -130.19 164.31 24.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.6 m -82.94 145.54 29.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 m -125.36 168.36 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.992 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -126.53 140.03 52.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.992 ' N ' HD22 ' A' ' 63' ' ' LEU . 18.5 m-85 -120.45 110.87 17.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 65' ' ' ILE . 8.2 tt -120.85 100.29 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 60.72 73.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.38 55.93 14.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -126.45 162.33 25.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -151.19 104.7 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.595 HD21 HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -148.49 171.34 16.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.764 ' HB2' HD11 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -108.26 109.0 20.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 109.573 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.736 HD13 HG21 ' A' ' 25' ' ' ILE . 12.1 pt -95.76 165.41 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.74 145.16 35.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -56.57 19.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.81 -42.26 75.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.66 -42.92 85.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.45 70.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -76.7 -39.56 51.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -34.47 77.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.651 ' CD2' HD13 ' A' ' 25' ' ' ILE . 13.7 mt -57.2 -45.16 84.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.738 HG23 HD12 ' A' ' 52' ' ' ILE . 54.6 t -69.22 -46.25 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.17 -36.91 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.49 ' HB1' HD11 ' A' ' 27' ' ' ILE . . . -68.21 -32.93 73.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.424 ' C ' HG13 ' A' ' 47' ' ' VAL . . . 125.38 39.62 0.43 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.67 160.92 14.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 0.757 . . . . 0.0 109.313 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.445 ' CB ' ' HA ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -61.97 142.12 57.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.428 ' OD1' HG11 ' A' ' 81' ' ' VAL . 4.3 t0 -125.05 95.96 4.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -120.02 -10.87 9.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.654 ' HB3' HG22 ' A' ' 52' ' ' ILE . 1.6 ptm180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.516 0.198 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.3 p -106.87 110.51 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.642 HG21 HG21 ' A' ' 72' ' ' ILE . 2.1 pp -59.9 143.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.4 tp10 -119.41 163.02 17.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.252 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.43 HG21 ' HB2' ' A' ' 83' ' ' ALA . 39.4 mm -137.59 148.26 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -131.85 89.75 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 p -73.25 -31.55 64.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.87 -50.22 69.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.94 -20.63 18.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 82.99 35.37 18.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 3.4 t -125.29 164.08 25.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 0.74 . . . . 0.0 109.244 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.506 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.6 p -124.99 141.91 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 5.0 t -139.3 122.91 17.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.406 HG22 HG22 ' A' ' 25' ' ' ILE . 42.4 t -97.03 151.51 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.447 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 4.3 mt-10 -108.75 132.08 54.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 1.9 mt -151.35 86.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 40.92 47.92 2.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.14 52.43 1.48 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -99.99 123.83 44.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -114.05 46.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -179.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.96 122.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -165.33 163.68 13.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.2 Cg_endo -75.05 144.03 29.58 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.3 t -66.9 -27.45 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -75.15 -2.99 30.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 m -115.58 34.93 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.035 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.731 HD13 HD23 ' A' ' 80' ' ' LEU . 83.3 mt -104.2 172.34 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.447 ' CB ' ' HB2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.33 128.8 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.85 HD12 HG23 ' A' ' 81' ' ' VAL . 2.9 mt -109.57 141.26 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.0 175.23 26.49 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.531 1.145 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 60' ' ' LEU . 17.3 m -139.17 143.17 38.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.49 116.03 31.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.01 -8.02 45.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -42.9 84.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.023 ' HB3' HD12 ' A' ' 60' ' ' LEU . . . -134.47 13.11 3.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 55.84 45.52 24.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.023 HD12 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -118.69 163.41 16.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.1 m -95.19 150.66 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.592 HG12 ' CD2' ' A' ' 71' ' ' HIS . 2.8 m -130.89 171.13 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.803 HD22 ' H ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -134.92 143.76 47.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.803 ' H ' HD22 ' A' ' 63' ' ' LEU . 52.6 m-85 -119.03 133.16 55.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 16.4 tt -156.33 102.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 5.3 t0 82.41 37.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.38 40.44 99.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.57 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -113.78 173.29 6.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.88 113.36 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.57 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -144.84 171.43 14.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CD2' HG12 ' A' ' 62' ' ' VAL . 23.3 m170 -104.05 124.16 48.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.579 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.642 HG21 HG21 ' A' ' 25' ' ' ILE . 10.2 pt -115.24 170.69 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.429 ' CB ' ' HB2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -64.8 146.03 55.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.66 -57.12 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.93 -37.44 76.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.429 ' HB2' ' CB ' ' A' ' 73' ' ' SER . 1.0 OUTLIER -68.62 -31.32 70.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.587 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -69.61 -30.17 67.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -76.05 -44.21 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -57.89 -29.66 65.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.731 HD23 HD13 ' A' ' 50' ' ' LEU . 1.3 mt -61.18 -41.65 97.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.85 HG23 HD12 ' A' ' 52' ' ' ILE . 22.2 t -67.54 -48.48 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.0 t -54.84 -37.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 27' ' ' ILE . . . -63.79 -25.94 68.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.56 19.2 5.83 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -78.97 157.62 28.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.46 149.5 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -133.6 102.39 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -119.43 -13.63 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.467 ' HD3' ' CG2' ' A' ' 52' ' ' ILE . 29.9 ptt180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.457 ' HG3' HG22 ' A' ' 38' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.458 0.17 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.415 ' HA ' ' OD1' ' A' ' 76' ' ' ASP . 39.6 p -114.42 132.57 56.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.614 ' O ' HD13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -78.6 143.14 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -114.51 163.74 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.1 mm -138.3 142.29 35.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -128.62 89.41 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 m -73.89 -45.93 47.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.66 -51.22 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -87.87 -25.01 23.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 77.49 54.67 4.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 2.9 t -147.79 164.39 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.837 ' SG ' HD21 ' A' ' 50' ' ' LEU . 1.8 p -117.28 143.12 46.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 108.259 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 85.3 p -146.03 118.42 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.81 150.46 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -108.73 124.78 51.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.2 pp -146.87 86.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 9.2 tp10 67.28 -60.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -126.24 67.92 0.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' GLY . 16.2 t -37.57 135.18 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.53 45.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -100.26 173.11 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -175.16 119.46 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -168.6 159.38 8.47 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.75 20.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.435 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 55.6 t -68.29 -26.44 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -75.8 -1.58 25.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.9 m -126.73 48.27 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.837 HD21 ' SG ' ' A' ' 34' ' ' CYS . 96.5 mt -111.35 164.65 12.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.65 138.73 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.633 HD12 HG23 ' A' ' 81' ' ' VAL . 3.4 mt -108.49 142.86 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.81 179.08 16.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.493 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 86.5 m -125.49 142.17 51.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.451 ' CB ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -110.88 105.5 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.9 -9.59 55.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.31 -36.9 77.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.508 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.42 15.05 4.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' ASP . 51.0 mtp180 45.05 48.92 9.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -128.21 164.13 23.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.6 m -85.3 140.71 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.844 HG11 ' HE ' ' A' ' 69' ' ' ARG . 3.3 m -119.96 168.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.972 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -122.52 138.1 54.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.972 ' N ' HD22 ' A' ' 63' ' ' LEU . 4.0 m-85 -119.12 111.47 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 5.7 tt -127.08 112.3 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 3.6 t0 79.56 13.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.6 31.71 20.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.895 ' HD2' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -105.52 172.86 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.844 ' HE ' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -137.32 115.92 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.908 HD21 HD12 ' A' ' 63' ' ' LEU . 1.2 pt? -136.62 171.35 14.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 2.0 p-80 -110.26 114.91 28.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.55 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 77' ' ' ALA . 4.8 pt -113.64 166.28 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -64.88 144.93 56.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.99 -57.56 9.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.63 -40.61 88.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.561 ' CB ' HD12 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -65.12 -30.49 71.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.494 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -71.08 -30.01 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -77.26 -38.81 50.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -66.58 -32.27 73.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.463 HD12 HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -56.77 -46.63 81.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.633 HG23 HD12 ' A' ' 52' ' ' ILE . 3.0 t -66.51 -50.31 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.0 t -51.1 -35.89 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.1 -24.48 67.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 132.49 -4.79 5.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -65.6 150.76 47.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.426 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.9 OUTLIER -65.44 149.87 49.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.558 ' CG ' HG21 ' A' ' 81' ' ' VAL . 5.1 t0 -121.05 108.63 14.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.426 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 30.1 mm-40 -121.49 -11.22 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.493 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.437 ' HG3' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.499 0.19 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -115.41 100.44 8.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.825 HD13 HD11 ' A' ' 80' ' ' LEU . 1.5 pp -53.04 126.64 9.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 35' ' ' SER . 4.1 tp10 -94.56 164.94 12.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.48 HD11 ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -139.14 127.91 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 1.8 t0 -117.07 88.5 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.98 -19.78 60.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.92 -51.2 70.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -99.7 -30.98 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.77 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 101.73 25.78 7.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 94.7 t -118.57 154.92 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.989 ' SG ' HG22 ' A' ' 47' ' ' VAL . 52.9 m -127.2 143.84 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.266 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 71.2 m -146.41 129.02 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.534 ' HB ' HG22 ' A' ' 25' ' ' ILE . 12.6 p -96.88 149.4 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 3.1 pt-20 -109.48 135.54 50.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.464 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 2.0 mt -149.35 88.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 11.8 pt-20 44.49 27.64 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.248 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.58 57.26 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.402 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 43.8 p -39.67 123.8 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.753 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -157.85 48.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.23 175.04 7.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.579 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.79 127.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.712 ' HB3' HD11 ' A' ' 65' ' ' ILE . . . -163.79 155.53 14.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 144.84 30.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.989 HG22 ' SG ' ' A' ' 34' ' ' CYS . 2.7 t -65.54 -25.97 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -78.34 0.55 25.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 m -120.21 35.45 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.572 HD13 HD22 ' A' ' 80' ' ' LEU . 75.0 mt -106.85 168.41 9.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.09 129.0 3.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.527 HD12 ' CG2' ' A' ' 81' ' ' VAL . 3.2 mt -106.47 141.39 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.41 176.22 21.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -119.85 133.14 55.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.78 ' HB3' HD23 ' A' ' 60' ' ' LEU . 32.8 t0 -104.95 96.79 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.94 -12.73 39.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -58.92 -40.81 85.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.585 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.35 14.05 4.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 49.16 49.99 18.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.78 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -130.29 164.26 25.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.4 p -84.91 139.92 31.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.04 160.85 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.881 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -123.55 142.42 51.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.881 ' N ' HD22 ' A' ' 63' ' ' LEU . 46.5 m-85 -118.91 129.66 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 45' ' ' ALA . 13.9 tt -151.13 104.02 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 1.1 t70 82.68 34.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.6 42.7 97.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.563 1.164 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.529 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -118.66 174.11 6.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.378 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.401 ' NH2' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -151.12 115.42 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.437 ' CD1' ' HG3' ' A' ' 23' ' ' MET . 0.1 OUTLIER -141.01 168.46 19.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.428 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -99.86 108.75 21.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.527 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 1.7 pt -102.99 169.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.11 144.91 50.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 9.5 pt-20 -55.72 -46.64 77.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 13.0 pt-20 -63.15 -42.42 99.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.62 ' HB3' HD11 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -64.86 -36.2 83.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.527 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . . . -67.72 -29.72 69.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.517 HE21 HG23 ' A' ' 82' ' ' VAL . 21.9 tp60 -77.42 -36.52 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -67.0 -31.85 72.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.825 HD11 HD13 ' A' ' 25' ' ' ILE . 18.0 mt -61.78 -48.89 78.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.527 ' CG2' HD12 ' A' ' 52' ' ' ILE . 75.6 t -61.64 -51.43 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.517 HG23 HE21 ' A' ' 78' ' ' GLN . 42.0 t -54.16 -36.3 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.731 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -67.36 -21.97 65.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.23 8.5 8.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.56 ' HB3' ' C ' ' A' ' 80' ' ' LEU . . . -68.49 154.32 42.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -58.18 151.52 18.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -133.05 100.34 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -121.71 -10.75 8.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.3 tpp . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.506 0.193 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.32 135.92 52.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.068 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.564 HG21 HG21 ' A' ' 72' ' ' ILE . 1.8 pp -78.46 143.02 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.4 tp10 -115.08 163.57 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.1 tp -131.45 150.51 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -129.37 91.0 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -56.74 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.26 -51.06 47.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -78.41 -26.25 46.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 73.23 59.17 4.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -158.24 173.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.629 ' N ' HG13 ' A' ' 33' ' ' VAL . 1.4 p -124.69 140.43 52.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 13.0 m -146.57 124.71 12.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 25' ' ' ILE . 47.3 t -96.82 150.11 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 3.4 pt-20 -106.21 137.33 44.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.44 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 2.2 mt -150.75 92.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 12.4 pt-20 42.88 47.09 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.93 51.76 2.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 t -107.28 113.65 27.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 0.774 . . . . 0.0 109.965 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 ttt-85 -100.03 50.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -178.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.633 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -179.79 125.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.725 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -161.67 163.52 19.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.3 Cg_endo -74.97 142.95 28.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.466 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 3.4 t -70.69 -27.78 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -73.48 -4.52 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.0 m -117.54 34.06 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.739 HD13 HD22 ' A' ' 80' ' ' LEU . 68.3 mt -101.54 171.54 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.6 129.3 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.779 HD12 HG23 ' A' ' 81' ' ' VAL . 2.7 mt -108.73 141.11 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.9 179.02 22.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.2 m -131.25 134.91 46.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 59' ' ' ARG . 2.1 t0 -97.15 101.04 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.02 -12.86 42.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -39.73 90.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.12 9.55 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.8 ttt180 54.45 52.12 12.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -130.12 160.82 32.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 p -84.43 141.83 30.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.584 HG11 ' HE ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -128.23 162.06 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.959 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -122.7 139.9 53.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.959 ' N ' HD22 ' A' ' 63' ' ' LEU . 5.1 m-30 -119.18 110.66 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.487 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 13.7 tt -130.68 102.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 5.9 t0 81.79 49.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.26 44.21 43.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.563 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -116.1 176.45 5.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 109.377 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.584 ' HE ' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -150.94 114.66 4.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.563 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -143.32 171.26 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -104.01 120.99 42.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.658 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.564 HG21 HG21 ' A' ' 25' ' ' ILE . 1.5 pt -119.38 166.4 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 10.8 t -70.08 154.2 42.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.61 -57.25 7.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.92 -45.02 60.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.35 -26.91 62.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.493 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -72.33 -30.38 64.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.33 -46.24 28.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.69 -30.04 54.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.36 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.739 HD22 HD13 ' A' ' 50' ' ' LEU . 14.2 mt -60.97 -41.06 95.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.779 HG23 HD12 ' A' ' 52' ' ' ILE . 24.1 t -67.19 -51.95 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.52 -36.83 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.28 73.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.27 38.68 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.57 156.18 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.78 150.13 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -132.86 99.33 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -120.04 -12.42 9.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.296 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.9 ttp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.53 0.205 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.8 m -118.54 102.15 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.672 ' O ' HD12 ' A' ' 25' ' ' ILE . 2.8 pp -54.86 124.35 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -103.13 160.95 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.802 ' O ' HD12 ' A' ' 27' ' ' ILE . 2.0 pp -125.11 156.44 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.3 OUTLIER -132.84 91.56 2.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -73.21 -46.4 50.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.948 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -51.16 66.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -29.88 38.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 81.91 45.47 7.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 1.024 HG22 ' O ' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -144.95 173.82 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.763 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.6 p -127.05 141.17 51.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 108.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 p -147.38 138.24 23.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 p -110.31 151.36 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -110.65 128.01 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.0 OUTLIER -144.17 86.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 68.42 -62.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -119.86 74.33 0.32 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' GLY . 27.4 p -37.93 124.43 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 110.047 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.01 49.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.48 165.83 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -177.82 118.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 1.024 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -150.82 167.82 12.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.599 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.0 Cg_endo -75.05 144.97 30.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.763 HG22 ' HB3' ' A' ' 34' ' ' CYS . 61.2 t -85.14 -28.45 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.26 -4.01 33.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 t -118.57 31.73 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.973 HD13 HD22 ' A' ' 80' ' ' LEU . 62.5 mt -99.11 175.48 5.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.13 129.4 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.414 HD11 ' O ' ' A' ' 77' ' ' ALA . 3.3 mt -105.77 144.34 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.7 175.24 25.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.5 m -123.54 137.23 54.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 110.432 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.505 ' HB3' HD23 ' A' ' 60' ' ' LEU . 5.9 t0 -106.76 103.46 12.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.18 -11.32 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.64 -40.8 84.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.623 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.39 13.46 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 51.89 50.1 19.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -131.58 164.09 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 p -84.05 149.64 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.935 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.461 HG21 ' CZ ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -129.77 169.14 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.86 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -128.0 142.1 51.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.86 ' N ' HD22 ' A' ' 63' ' ' LEU . 8.6 m-85 -118.98 125.78 50.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 11.3 tt -146.03 109.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 6.2 t0 78.91 22.21 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.28 34.94 44.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -111.31 170.51 8.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.461 ' CZ ' HG21 ' A' ' 62' ' ' VAL . 4.0 tpp85 -137.68 121.14 17.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.587 HD21 HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -145.31 171.45 14.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.49 ' HB2' HD11 ' A' ' 60' ' ' LEU . 1.8 p80 -105.45 118.37 36.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.589 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.8 pt -112.65 170.3 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.56 144.94 45.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 12.6 pt-20 -54.53 -48.73 71.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.453 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 13.2 pt-20 -63.69 -41.71 98.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.566 ' HB3' HD11 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -65.63 -30.06 70.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.414 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -70.89 -30.0 66.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.69 ' OE1' HG23 ' A' ' 82' ' ' VAL . 1.0 OUTLIER -77.0 -41.81 41.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -31.82 71.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.973 HD22 HD13 ' A' ' 50' ' ' LEU . 23.2 mt -59.98 -44.42 94.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.7 t -64.96 -48.49 83.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.69 HG23 ' OE1' ' A' ' 78' ' ' GLN . 49.6 t -58.45 -37.41 63.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.431 ' CB ' HG11 ' A' ' 47' ' ' VAL . . . -65.95 -31.73 72.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.07 40.39 0.41 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.32 158.22 16.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 0.73 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.409 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -67.71 144.63 55.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -126.68 108.79 11.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.409 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 15.7 mm-40 -120.85 -12.44 8.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.48 ' HG2' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.531 0.205 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.6 t -99.6 142.55 30.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.98 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.633 ' C ' HD12 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -90.22 127.74 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.0 tp10 -105.03 162.9 12.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.4 mm -141.94 141.78 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.76 92.26 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -56.51 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -51.09 62.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.9 mp0 -72.64 -29.09 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.83 57.4 3.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 45' ' ' ALA . 0.5 OUTLIER -161.3 173.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.885 ' SG ' HD21 ' A' ' 50' ' ' LEU . 1.8 p -126.8 143.17 51.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 43.9 p -144.83 121.53 11.17 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.44 HG21 HD13 ' A' ' 63' ' ' LEU . 12.0 p -96.95 152.53 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.447 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 2.7 mt-10 -106.57 131.23 53.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 1.9 mt -151.21 86.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' ILE . 7.0 pt-20 38.12 45.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.35 51.73 1.04 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' ARG . 35.6 t -94.95 -65.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 41' ' ' SER . 26.1 mtt-85 38.28 40.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -172.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -154.2 114.13 3.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.719 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -149.09 159.56 36.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.55 17.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.562 1.822 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.499 HG22 ' HB3' ' A' ' 34' ' ' CYS . 3.4 t -60.31 -26.12 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -77.64 -0.35 26.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.6 t -125.45 44.28 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.885 HD21 ' SG ' ' A' ' 34' ' ' CYS . 53.8 mt -106.62 169.54 8.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.23 138.19 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.782 HD12 HG23 ' A' ' 81' ' ' VAL . 3.3 mt -108.87 144.72 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.23 176.66 18.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.155 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.6 m -131.19 135.03 47.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.898 ' HB3' HD23 ' A' ' 60' ' ' LEU . 32.4 t70 -109.32 99.7 8.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.9 -8.78 47.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -69.37 -35.4 75.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.51 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -132.25 15.04 4.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 46.68 49.13 14.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.898 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -133.85 164.44 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.5 m -86.73 152.88 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 71' ' ' HIS . 2.8 m -125.02 174.46 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.755 HD23 ' N ' ' A' ' 64' ' ' TYR . 3.2 tt -116.38 128.23 55.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.755 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -113.92 111.15 21.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.528 HD12 HD23 ' A' ' 50' ' ' LEU . 3.8 tp -121.88 122.97 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.33 -72.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . -170.16 37.67 0.19 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.496 ' CG ' ' N ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -120.66 168.8 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.496 ' N ' ' CG ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -145.45 121.2 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.48 HD12 ' HG2' ' A' ' 23' ' ' MET . 0.3 OUTLIER -136.36 170.6 15.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.407 ' HA ' HG12 ' A' ' 62' ' ' VAL . 8.7 m-70 -94.83 121.66 36.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.584 HD13 HG21 ' A' ' 25' ' ' ILE . 1.7 pt -119.35 170.29 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.95 153.8 42.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -57.24 12.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -56.74 -42.59 79.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -35.77 81.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -65.56 -30.81 71.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -77.06 -40.68 45.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -61.55 -34.29 75.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.621 ' HG ' HD13 ' A' ' 25' ' ' ILE . 1.4 mt -53.4 -45.13 69.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.969 HG21 ' OD1' ' A' ' 87' ' ' ASP . 3.5 t -68.55 -50.46 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.8 t -51.88 -36.73 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.8 -23.06 67.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.53 9.5 8.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -71.5 158.1 36.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.764 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.415 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -67.27 150.18 49.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.969 ' OD1' HG21 ' A' ' 81' ' ' VAL . 2.7 t0 -127.62 106.19 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.415 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 46.8 mm-40 -121.74 -11.47 8.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.59 ' HG3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.508 0.194 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.0 p -77.46 141.12 39.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.709 HD13 ' HG ' ' A' ' 80' ' ' LEU . 1.2 pp -95.82 141.23 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.7 tp10 -110.29 163.32 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.452 ' HA ' HD13 ' A' ' 27' ' ' ILE . 19.6 mm -136.66 133.31 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -120.76 88.86 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.43 -42.42 62.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.91 -51.1 31.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -90.08 -23.73 21.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 78.68 38.58 23.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 2.8 t -126.13 164.45 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.913 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.9 p -116.57 142.34 47.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 108.321 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 42.0 m -149.26 119.64 7.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.485 HG23 HG22 ' A' ' 25' ' ' ILE . 10.6 p -97.95 150.68 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 2.9 mt-10 -106.27 128.99 54.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.59 HG23 ' HG3' ' A' ' 23' ' ' MET . 0.2 OUTLIER -153.96 86.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' ILE . 2.8 pt-20 32.03 69.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.45 64.29 1.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 t -114.24 123.9 50.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -124.07 47.38 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -177.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.603 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.8 127.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.665 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -171.07 170.52 2.84 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.665 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.4 Cg_endo -74.98 126.95 10.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.913 HG22 ' HB3' ' A' ' 34' ' ' CYS . 46.1 t -68.92 -20.26 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -79.82 -3.94 49.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 t -127.27 50.01 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.557 HD21 ' SG ' ' A' ' 34' ' ' CYS . 91.7 mt -110.98 176.02 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -161.4 136.96 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.552 HD12 HG23 ' A' ' 81' ' ' VAL . 3.6 mt -111.16 144.64 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.49 179.34 18.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 60' ' ' LEU . 15.7 m -143.03 142.33 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.388 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -94.4 111.6 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.23 -7.47 47.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.58 -35.13 65.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.65 13.29 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' ASP . 8.0 mtm180 48.32 45.45 20.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 54' ' ' THR . 13.6 mt -113.8 163.1 15.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.43 147.99 23.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 71' ' ' HIS . 2.5 m -132.62 172.89 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.873 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -134.42 143.15 47.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.873 ' N ' HD22 ' A' ' 63' ' ' LEU . 14.8 m-85 -119.07 124.53 47.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.432 HG23 ' HG2' ' A' ' 68' ' ' LYS . 16.7 tt -130.09 124.61 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.26 -65.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . 177.21 37.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HG2' HG23 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -116.71 172.52 7.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.68 125.69 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.51 171.83 18.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.426 ' HA ' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -107.9 130.7 55.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.536 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.585 HG21 ' CG2' ' A' ' 25' ' ' ILE . 1.4 pt -120.6 168.93 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.74 145.3 56.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.68 -38.89 79.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -71.41 -39.3 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.406 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 1.8 m-20 -70.99 -28.42 64.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.487 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -71.91 -30.03 64.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 82' ' ' VAL . 3.9 tp60 -77.17 -42.91 35.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -29.78 68.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.709 ' HG ' HD13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -58.24 -46.46 85.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.62 HG21 ' OD2' ' A' ' 87' ' ' ASP . 21.9 t -71.2 -47.62 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 78' ' ' GLN . 51.2 t -50.57 -35.88 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.99 -29.29 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 143.0 -13.04 2.37 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -56.51 156.61 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.561 ' O ' HG22 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -73.42 152.12 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.62 ' OD2' HG21 ' A' ' 81' ' ' VAL . 2.2 t0 -132.85 103.94 6.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -122.32 -10.34 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.482 ' HG2' HG22 ' A' ' 52' ' ' ILE . 1.4 ptt180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.512 0.196 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.5 p -98.69 130.99 45.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.814 HG12 HD12 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -89.2 140.91 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -130.42 163.35 27.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.624 HG23 HG21 ' A' ' 47' ' ' VAL . 16.7 mm -135.78 151.02 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.381 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -126.41 90.34 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -35.31 66.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -49.35 -51.07 36.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -96.64 -22.58 16.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 86.91 15.83 62.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.573 ' C ' HG23 ' A' ' 47' ' ' VAL . 3.2 t -99.98 164.38 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.608 ' HB3' HD11 ' A' ' 50' ' ' LEU . 7.2 p -105.04 143.8 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.263 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 12.1 t -143.41 112.77 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.721 HG23 ' HA ' ' A' ' 25' ' ' ILE . 15.0 p -115.68 148.45 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.439 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -93.5 139.13 31.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -164.67 169.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 2.0 pt-20 -54.71 88.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 92.53 53.89 1.9 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' GLY . 7.8 p -39.45 127.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.787 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -169.46 47.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -117.68 178.58 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.658 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 169.43 129.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.915 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -174.93 -178.65 0.36 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.915 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.2 Cg_endo -75.0 144.3 30.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.624 HG21 HG23 ' A' ' 27' ' ' ILE . 2.9 t -79.2 -28.64 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.19 -2.74 29.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.449 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 3.2 t -118.47 40.22 3.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 34' ' ' CYS . 39.5 mt -109.6 156.42 20.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -141.42 149.83 41.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.664 ' CD1' HG23 ' A' ' 81' ' ' VAL . 3.1 mt -112.92 144.68 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.479 ' C ' ' CG2' ' A' ' 62' ' ' VAL . . . -119.08 174.42 15.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 m -125.05 133.97 52.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.74 ' HB3' HD23 ' A' ' 60' ' ' LEU . 11.2 t0 -107.5 100.51 9.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.31 -12.86 46.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -58.91 -41.44 87.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.617 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.53 13.34 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 51.22 50.57 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.74 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -130.91 163.15 28.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.06 156.83 26.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.479 ' CG2' ' C ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -132.74 179.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.727 HD23 ' C ' ' A' ' 63' ' ' LEU . 3.1 tt -111.98 124.89 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.679 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -119.13 110.94 17.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.534 HG23 ' HG2' ' A' ' 68' ' ' LYS . 3.1 tt -131.85 125.65 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 t70 68.75 9.45 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.29 29.64 16.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HG2' HG23 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -101.4 172.08 7.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.472 ' CZ ' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -137.6 120.63 16.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -143.21 169.97 16.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 1.1 t60 -97.52 125.84 42.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.577 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.752 HD11 ' HB2' ' A' ' 77' ' ' ALA . 1.1 pt -128.61 170.04 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.25 149.73 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.039 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.04 -35.54 81.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.26 -37.06 63.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.442 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 1.8 m-20 -72.42 -28.34 62.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.752 ' HB2' HD11 ' A' ' 72' ' ' ILE . . . -71.19 -30.58 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -77.05 -43.59 33.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -68.13 -29.61 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.814 HD12 HG12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -55.12 -46.35 75.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.664 HG23 ' CD1' ' A' ' 52' ' ' ILE . 8.2 t -71.54 -47.93 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.7 t -50.93 -35.74 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.592 ' HB1' HG21 ' A' ' 27' ' ' ILE . . . -66.01 -27.67 68.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 138.16 -9.34 3.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -58.5 150.42 22.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.417 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.3 tp10 -70.29 150.84 45.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.536 ' CG ' HG21 ' A' ' 81' ' ' VAL . 2.6 t0 -123.18 112.99 18.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.417 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 47.7 mm-40 -123.06 -10.93 8.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.526 ' SD ' ' CE1' ' A' ' 71' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.535 0.207 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.07 131.63 44.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.643 HD13 ' HG ' ' A' ' 80' ' ' LEU . 1.4 pp -73.66 143.05 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -119.75 162.14 19.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.448 HD11 HD23 ' A' ' 80' ' ' LEU . 12.7 mm -141.36 149.49 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLY . 4.1 t0 -130.14 89.71 2.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.8 p -72.98 -26.21 61.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.25 -50.8 71.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -99.08 -20.23 16.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 87.17 18.98 56.68 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.464 1.103 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 3.7 t -102.73 163.34 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.355 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.6 p -127.44 142.51 51.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 108.361 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.411 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 18.4 t -148.79 128.1 12.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.418 HG21 HD21 ' A' ' 70' ' ' LEU . 10.6 p -99.03 151.16 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -107.36 131.75 53.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.61 HD11 HD22 ' A' ' 70' ' ' LEU . 6.2 mt -148.02 86.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 38' ' ' ILE . 7.3 pt-20 37.48 37.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.78 61.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 111.043 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 t -39.46 124.15 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 110.018 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -155.6 48.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -122.91 175.35 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.599 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.77 123.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -175.01 166.65 2.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.3 Cg_endo -75.0 142.57 28.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.489 1.784 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.46 HG22 ' HB3' ' A' ' 34' ' ' CYS . 2.9 t -60.95 -23.36 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -78.38 0.15 26.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.14 34.23 5.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.524 HD13 HD22 ' A' ' 80' ' ' LEU . 76.4 mt -107.1 163.54 12.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.44 136.73 7.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.717 ' CD1' HG23 ' A' ' 81' ' ' VAL . 3.5 mt -102.21 140.98 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.58 179.1 18.1 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.542 1.152 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.502 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 63.7 m -124.66 143.03 50.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 0.746 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.466 ' HB3' HD23 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -115.74 102.76 10.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.579 1.174 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.91 -10.65 54.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -39.8 92.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.62 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.21 13.48 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 52.11 49.67 20.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 58' ' ' ALA . 0.4 OUTLIER -133.14 163.87 28.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.6 p -85.06 145.26 27.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 m -121.2 171.34 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.933 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -124.47 145.16 49.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.933 ' N ' HD22 ' A' ' 63' ' ' LEU . 3.8 m-85 -116.88 116.58 27.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.496 HG23 ' O ' ' A' ' 65' ' ' ILE . 4.5 tp -127.85 108.24 17.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 9.7 t0 81.99 -4.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.5 15.58 12.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 170.28 9.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.9 115.63 15.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.363 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.61 HD22 HD11 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -136.28 171.22 14.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.526 ' CE1' ' SD ' ' A' ' 23' ' ' MET . 12.2 p80 -103.19 115.48 30.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.615 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.589 HD11 ' CB ' ' A' ' 77' ' ' ALA . 1.3 pt -110.82 171.24 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.98 152.79 39.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.64 -57.21 13.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.15 -38.71 80.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.53 -27.95 68.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.589 ' CB ' HD11 ' A' ' 72' ' ' ILE . . . -75.14 -28.1 60.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -43.29 43.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -66.1 -30.58 71.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.643 ' HG ' HD13 ' A' ' 25' ' ' ILE . 3.7 mt -56.85 -45.58 82.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.717 HG23 ' CD1' ' A' ' 52' ' ' ILE . 18.8 t -69.35 -48.11 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.9 t -52.32 -37.03 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.04 -23.33 67.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.33 2.78 7.52 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -67.28 155.95 37.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.407 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -67.58 144.4 55.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.609 ' OD1' HG21 ' A' ' 81' ' ' VAL . 3.0 t0 -116.41 110.38 18.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.407 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 38.2 mm-40 -122.54 -10.74 8.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.502 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER -75.45 -46.44 32.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -153.33 -178.53 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -76.55 123.6 26.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.577 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.591 ' HG ' HG11 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -41.39 105.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.45 177.6 4.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -142.08 -62.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -133.43 167.01 21.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.774 ' HB3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.532 0.206 . . . . 0.0 110.988 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.7 m -100.2 106.37 18.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.8 HD13 ' HG ' ' A' ' 80' ' ' LEU . 2.9 pp -53.05 142.24 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -109.66 164.21 12.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.427 HD11 HG11 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -144.05 139.33 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.4 89.62 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 94.5 p -73.24 -39.92 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.19 -51.02 35.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.36 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -90.2 -27.1 19.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.58 23.99 34.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.991 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 13.7 t -111.81 161.78 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.97 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.6 p -127.19 142.81 51.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 108.295 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.458 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 26.8 t -148.97 135.19 19.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.024 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.63 HG22 HG22 ' A' ' 25' ' ' ILE . 71.6 t -98.8 158.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HA ' ' CB ' ' A' ' 41' ' ' SER . 5.4 mt-10 -112.32 133.79 54.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.774 HG23 ' HB3' ' A' ' 23' ' ' MET . 0.0 OUTLIER -162.2 86.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 38' ' ' ILE . 11.3 pt-20 35.9 53.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' SER . . . 157.39 -39.12 0.55 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' GLY . 51.6 p 36.39 89.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.64 49.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.35 179.03 4.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.66 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.4 ttt85 -178.53 121.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -171.59 167.74 3.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.1 Cg_endo -75.06 141.95 27.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.487 1.783 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.97 HG22 ' HB3' ' A' ' 34' ' ' CYS . 78.2 t -75.38 -27.27 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -74.63 -3.51 31.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.7 t -118.65 41.53 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.789 HD13 HD22 ' A' ' 80' ' ' LEU . 33.6 mt -103.78 167.84 9.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.32 131.01 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 77' ' ' ALA . 3.3 mt -109.42 145.06 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.22 178.8 23.68 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.44 ' OG1' ' NE ' ' A' ' 89' ' ' ARG . 89.3 m -118.91 137.44 53.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.361 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.499 ' OD2' ' CZ ' ' A' ' 69' ' ' ARG . 0.5 OUTLIER -101.93 99.16 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.344 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.43 -14.25 38.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.88 -41.13 86.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.28 9.72 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ASP . 0.3 OUTLIER 55.38 51.48 12.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.0 mt -131.22 162.74 29.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -82.8 136.84 34.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.482 HG13 ' HB2' ' A' ' 55' ' ' ASP . 14.8 m -120.9 164.35 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.734 ' C ' HD13 ' A' ' 63' ' ' LEU . 0.6 OUTLIER -123.03 143.16 50.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.731 ' H ' HD22 ' A' ' 63' ' ' LEU . 17.9 m-85 -118.72 126.53 52.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.506 HD11 ' HB3' ' A' ' 45' ' ' ALA . 12.1 tt -147.28 112.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 0.8 OUTLIER 77.72 10.99 2.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.5 41.75 5.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HG2' HG23 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -116.1 171.78 7.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.499 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 0.3 OUTLIER -143.61 111.72 6.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.74 171.51 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -102.95 122.22 44.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.593 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.613 HG21 HG21 ' A' ' 25' ' ' ILE . 3.3 pt -119.12 163.74 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.04 149.78 35.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 75' ' ' GLU . 0.2 OUTLIER -66.85 -38.48 86.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 74' ' ' GLU . 4.2 tp10 -71.4 -37.72 71.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.469 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -70.86 -32.45 69.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.503 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -65.41 -32.61 74.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.578 ' HG3' HD12 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -77.29 -43.22 33.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.325 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -66.17 -31.02 71.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.8 ' HG ' HD13 ' A' ' 25' ' ' ILE . 1.1 mt -62.61 -48.33 79.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 86' ' ' GLU . 2.7 t -61.94 -51.6 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.3 t -51.36 -35.42 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -63.92 -25.27 68.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 135.39 -6.85 4.29 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.03 152.72 31.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.449 ' O ' HG22 ' A' ' 81' ' ' VAL . 0.9 OUTLIER -68.42 154.82 41.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -125.84 107.13 10.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.418 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 36.6 mm-40 -121.92 -10.22 8.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.44 ' NE ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER -46.69 -45.05 19.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 179.44 -68.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -157.36 -48.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.619 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.578 HD12 ' HG3' ' A' ' 78' ' ' GLN . 0.4 OUTLIER 71.26 -69.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -172.52 -48.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 111.041 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 55.32 65.37 1.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.279 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -83.59 90.89 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 3.0 mpp? . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.467 0.175 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 94.6 p -59.09 114.11 2.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.039 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.88 HD13 ' HG ' ' A' ' 80' ' ' LEU . 2.7 pp -59.16 143.15 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.501 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -124.18 164.19 20.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.425 HD13 ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -135.6 142.2 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -130.06 88.88 2.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.4 t -73.22 -43.72 60.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.11 -38.9 26.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -97.95 -27.49 14.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 82.64 37.9 13.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.485 1.115 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.684 ' C ' HG23 ' A' ' 47' ' ' VAL . 2.6 t -135.43 164.27 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.855 ' HB3' HG22 ' A' ' 47' ' ' VAL . 5.0 p -118.27 143.47 46.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 108.277 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 13.4 m -148.75 122.85 9.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.403 HG12 ' CG ' ' A' ' 43' ' ' HIS . 7.2 p -97.24 154.61 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.461 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -80.86 142.98 33.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.592 HD12 ' H ' ' A' ' 42' ' ' ARG . 1.8 mt -151.61 169.72 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.457 ' H ' HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -40.22 -29.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 41' ' ' SER . . . -146.97 25.43 1.61 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.433 1.083 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 40' ' ' GLY . 34.5 p 35.81 89.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 109.969 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.592 ' H ' HD12 ' A' ' 38' ' ' ILE . 6.3 tpp180 -132.04 59.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.553 ' ND1' HD11 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -130.9 173.0 11.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.552 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 165.56 131.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.245 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.699 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -175.2 171.44 1.25 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.699 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.3 Cg_endo -75.04 131.69 14.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.802 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.855 HG22 ' HB3' ' A' ' 34' ' ' CYS . 25.0 t -70.21 -27.54 32.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.102 . . . . 0.0 109.288 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -75.94 -2.37 30.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.426 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 1.6 t -121.7 45.27 2.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.996 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.79 HD13 HD22 ' A' ' 80' ' ' LEU . 83.1 mt -106.99 167.84 9.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.5 137.37 7.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.677 ' CD1' HG23 ' A' ' 81' ' ' VAL . 3.6 mt -111.04 141.52 26.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -136.37 173.7 21.86 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.2 m -120.91 134.87 55.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -96.57 98.05 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.66 -12.49 46.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.14 -39.13 91.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.266 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.19 9.61 4.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' ASP . 3.6 ttt-85 54.62 51.86 13.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.4 mt -130.19 161.05 32.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -82.92 144.41 30.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.462 HG11 ' HD3' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -131.08 168.1 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -122.7 142.23 50.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.871 ' N ' HD22 ' A' ' 63' ' ' LEU . 2.5 m-85 -118.82 126.38 51.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.417 HD11 ' HB3' ' A' ' 45' ' ' ALA . 11.1 tt -148.67 115.14 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 4.4 t70 75.18 19.72 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.56 36.85 28.65 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.521 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -111.4 171.83 7.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.462 ' HD3' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -146.0 109.07 4.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.521 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -135.15 171.34 14.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -100.86 112.73 25.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.569 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.479 HG21 HG21 ' A' ' 25' ' ' ILE . 2.9 pt -112.53 165.33 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.79 146.8 40.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -57.36 8.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -53.06 -43.03 66.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.456 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -66.32 -42.54 88.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.163 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.496 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -57.25 -33.59 67.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -38.68 51.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.04 -31.79 71.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.88 ' HG ' HD13 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -60.93 -50.07 74.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 1.007 HG21 ' OD2' ' A' ' 87' ' ' ASP . 2.5 t -59.44 -53.15 52.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.9 t -51.27 -35.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -64.12 -26.8 68.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 140.87 -11.27 2.87 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 81' ' ' VAL . . . -60.08 150.93 27.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.673 ' O ' HG22 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -65.64 155.19 36.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 1.007 ' OD2' HG21 ' A' ' 81' ' ' VAL . 2.5 t70 -129.25 112.87 14.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.417 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 29.4 mm-40 -123.58 -10.58 7.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -44.56 19.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.44 -64.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -169.66 173.14 6.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.59 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.683 HD22 ' N ' ' A' ' 93' ' ' MET . 0.0 OUTLIER -169.37 173.94 6.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.683 ' N ' HD22 ' A' ' 92' ' ' LEU . 0.1 OUTLIER 179.12 119.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.92 132.62 44.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.39 101.74 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.4 p30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.405 ' HG2' HG23 ' A' ' 38' ' ' ILE . 11.0 mtm . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.461 0.172 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.432 ' C ' HG23 ' A' ' 36' ' ' VAL . 1.7 m -88.16 127.09 35.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.034 HD13 HD11 ' A' ' 80' ' ' LEU . 2.3 pp -86.61 134.21 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -107.54 164.35 12.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.874 HD11 HG21 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -130.9 136.55 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.632 ' H ' HD13 ' A' ' 27' ' ' ILE . 5.4 t0 -124.33 89.05 3.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.0 t -72.99 -24.96 60.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.033 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -51.03 65.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -102.39 -23.57 13.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 90.33 44.08 4.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' ASP . 53.8 t -136.83 159.29 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 0.727 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' ' 50' ' ' LEU . 2.1 p -116.9 143.1 46.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 108.308 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -139.36 114.49 9.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 0.0 110.003 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.432 HG23 ' C ' ' A' ' 24' ' ' SER . 7.2 p -96.84 152.8 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.65 148.23 25.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -160.47 169.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -41.05 -28.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -141.72 71.38 0.41 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.057 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 83.2 p -39.44 143.33 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.759 . . . . 0.0 110.006 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.482 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.6 OUTLIER 162.93 44.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.15 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 167.14 12.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.612 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 171.87 132.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.28 159.51 10.51 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 125.74 9.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.8 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.874 HG21 HD11 ' A' ' 27' ' ' ILE . 39.7 t -57.88 -26.35 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -76.09 -1.92 28.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.6 t -125.15 33.26 5.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.491 HD11 ' SG ' ' A' ' 34' ' ' CYS . 61.2 mt -101.45 176.89 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' HA ' ' CB ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -161.86 129.85 4.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.283 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 mt -106.83 138.37 32.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.44 179.11 17.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.3 m -122.23 133.63 54.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 0.754 . . . . 0.0 110.394 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.801 ' HB3' HD23 ' A' ' 60' ' ' LEU . 17.3 t70 -105.62 96.38 6.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.83 -12.71 38.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.89 -40.03 83.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.63 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.25 14.02 4.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 51.66 50.12 19.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.32 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.801 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -132.77 163.17 29.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.409 ' OG ' ' NE ' ' A' ' 89' ' ' ARG . 5.9 m -88.78 139.67 30.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.4 m -120.04 156.08 22.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.886 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -115.54 143.85 44.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.886 ' N ' HD22 ' A' ' 63' ' ' LEU . 10.0 m-85 -119.01 128.95 54.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 8.2 tt -146.58 106.71 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 4.9 t0 81.58 18.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.86 40.03 12.65 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 110.962 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.59 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -115.56 170.97 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.72 111.24 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.59 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -141.14 171.46 14.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.509 ' N ' HD12 ' A' ' 70' ' ' LEU . 64.6 m-70 -97.4 114.07 25.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.593 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.437 HG21 HG21 ' A' ' 25' ' ' ILE . 3.4 pt -110.42 164.14 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.84 145.56 54.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -56.52 18.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.53 -42.73 67.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.473 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -63.21 -45.32 92.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.24 64.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -77.12 -38.05 52.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 mtt-85 -63.6 -34.16 77.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.034 HD11 HD13 ' A' ' 25' ' ' ILE . 75.0 mt -62.27 -49.5 75.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 11.2 t -54.49 -56.77 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.5 t -54.45 -36.7 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.43 ' CB ' HG11 ' A' ' 47' ' ' VAL . . . -64.82 -32.96 74.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.23 42.35 0.22 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.86 157.04 18.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.1 tp10 -63.8 152.77 38.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -132.42 107.01 8.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 16.6 mm-40 -120.85 -11.88 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' NE ' ' OG ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -52.24 -48.92 64.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.85 -60.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -167.96 178.95 4.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.62 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -70.43 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.13 172.5 12.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -145.52 140.15 27.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -40.83 145.02 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.9 t0 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.43 ' HG2' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.513 0.197 . . . . 0.0 111.011 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 82.7 p -118.76 97.87 5.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.009 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.61 HG22 ' CG2' ' A' ' 36' ' ' VAL . 2.6 pp -53.03 130.33 14.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 109.262 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.63 164.67 12.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.671 ' O ' HD12 ' A' ' 27' ' ' ILE . 2.5 pp -133.98 156.76 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.6 t70 -130.84 90.07 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.4 p -72.32 -8.77 56.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -74.19 -50.42 19.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -101.42 -23.04 14.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.47 22.29 27.07 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' ASP . 39.7 t -112.1 160.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.571 0.806 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.453 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.8 p -118.74 143.22 47.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 108.312 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.9 p -137.89 121.43 17.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.61 ' CG2' HG22 ' A' ' 25' ' ' ILE . 8.7 p -97.44 150.99 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -114.56 133.38 55.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -149.82 86.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 38' ' ' ILE . 16.5 pt-20 37.81 31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 154.56 62.86 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 p -39.29 125.56 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 0.779 . . . . 0.0 109.949 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -166.21 48.36 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -132.18 173.17 11.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 175.0 129.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.571 ' HB3' HD11 ' A' ' 65' ' ' ILE . . . -158.92 165.72 17.9 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.547 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.5 Cg_endo -75.0 128.08 11.19 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.576 HG12 ' C ' ' A' ' 84' ' ' GLY . 55.7 t -63.63 -27.51 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -73.63 -4.3 33.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 t -116.72 34.37 5.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.975 HD13 HD22 ' A' ' 80' ' ' LEU . 80.2 mt -105.89 169.43 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.81 128.81 3.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -107.63 143.59 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.08 174.96 26.69 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.498 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 84.8 m -119.42 136.92 54.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 0.724 . . . . 0.0 110.406 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -107.04 106.24 16.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.16 -10.51 51.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.78 -40.71 89.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.58 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.48 13.81 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 49.61 50.04 18.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -133.26 164.05 27.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -88.15 142.11 28.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.7 m -126.36 162.51 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.888 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -121.83 143.02 49.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.888 ' N ' HD22 ' A' ' 63' ' ' LEU . 81.7 m-85 -119.26 122.74 42.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.579 HG22 HD11 ' A' ' 63' ' ' LEU . 12.2 tt -151.14 127.93 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 58.95 43.69 17.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 53.21 48.61 58.8 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.6 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -122.67 171.67 8.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' N ' ' HD3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -148.31 112.12 5.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.6 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -142.45 171.27 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.45 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -107.21 112.44 25.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.595 HG21 HG12 ' A' ' 25' ' ' ILE . 1.3 pt -103.13 171.12 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.1 163.02 28.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -57.09 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -58.08 -38.77 77.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -64.38 -37.29 86.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.559 ' HB2' HD11 ' A' ' 72' ' ' ILE . . . -70.32 -27.33 64.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -77.16 -34.77 56.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 -67.75 -30.57 70.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.975 HD22 HD13 ' A' ' 50' ' ' LEU . 44.8 mt -60.48 -47.3 86.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.7 t -65.17 -50.94 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.83 -37.45 66.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.36 -33.11 75.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.576 ' C ' HG12 ' A' ' 47' ' ' VAL . . . 129.26 43.24 0.22 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.532 ' HB3' ' C ' ' A' ' 80' ' ' LEU . . . -110.28 156.59 20.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -63.72 149.88 45.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -127.53 106.56 9.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -121.36 -11.36 8.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.498 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER -52.01 -32.64 34.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.27 -62.03 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -81.49 58.86 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.648 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.53 ' C ' HD13 ' A' ' 92' ' ' LEU . 3.1 tm? -111.6 90.46 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 40.0 mmm -111.23 -62.91 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 57.52 176.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -61.41 136.27 57.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.485 ' HG2' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.481 0.181 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.92 107.29 13.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.767 HD13 HD21 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -63.09 139.15 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -109.89 161.3 15.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.566 HD11 HD23 ' A' ' 80' ' ' LEU . 10.3 mm -135.13 131.74 52.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 6.3 t0 -121.32 89.75 3.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -34.94 65.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -48.89 -51.14 31.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -96.98 -27.14 14.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.269 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 91.3 26.37 21.27 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.158 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.449 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 34.8 t -117.6 159.24 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.605 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.7 p -124.75 143.0 51.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 108.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.9 p -142.46 116.69 9.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.404 HG23 ' HA ' ' A' ' 25' ' ' ILE . 11.6 p -97.25 148.61 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 3.2 pt-20 -111.87 131.36 55.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.425 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 3.7 mt -149.98 86.86 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' CB ' ' O ' ' A' ' 38' ' ' ILE . 1.9 mm-40 79.4 24.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.66 40.52 5.94 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.9 t -99.65 98.0 8.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -81.37 54.52 2.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.2 -176.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.544 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.26 124.75 0.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -157.18 160.01 30.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.29 20.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.683 HG13 HD12 ' A' ' 50' ' ' LEU . 79.3 t -63.36 -24.57 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -73.54 -5.25 38.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.7 t -120.28 42.64 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.861 HD13 HD22 ' A' ' 80' ' ' LEU . 87.0 mt -107.72 169.84 8.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.62 134.14 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.422 HD11 ' O ' ' A' ' 77' ' ' ALA . 3.2 mt -107.05 142.85 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.07 178.94 19.44 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.152 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.5 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 42.0 m -126.94 139.02 53.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 0.767 . . . . 0.0 110.38 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' ARG . 3.4 t0 -102.74 100.13 10.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.8 -13.4 55.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -40.87 91.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.37 10.59 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 54.7 50.9 14.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.324 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.4 mt -129.94 162.84 27.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.6 p -80.27 145.04 32.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.48 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 1.4 m -127.3 169.21 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.98 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -117.32 137.11 52.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.98 ' N ' HD22 ' A' ' 63' ' ' LEU . 2.7 m-85 -120.0 115.73 24.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.453 HG22 HD11 ' A' ' 63' ' ' LEU . 12.4 tt -137.01 100.52 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.17 73.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 48.24 57.86 7.71 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -129.87 159.07 37.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' NH1' ' OD1' ' A' ' 55' ' ' ASP . 0.1 OUTLIER -151.89 105.47 3.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.54 ' CD2' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -143.97 171.36 14.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -104.28 127.13 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.62 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.655 HG21 ' CG2' ' A' ' 25' ' ' ILE . 1.4 pt -118.23 171.22 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.38 145.76 54.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 9.2 pt-20 -59.57 -45.0 93.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.267 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.437 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 1.8 tp10 -68.93 -36.76 78.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.58 -27.02 62.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -74.72 -28.76 60.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -77.08 -42.98 36.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -59.29 -35.43 73.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.861 HD22 HD13 ' A' ' 50' ' ' LEU . 37.0 mt -54.77 -45.74 74.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.49 HG11 ' OD2' ' A' ' 87' ' ' ASP . 46.3 t -65.76 -48.82 80.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.35 -37.06 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.578 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -66.19 -23.4 66.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 116.97 15.79 6.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.532 ' HB3' ' C ' ' A' ' 80' ' ' LEU . . . -77.02 155.26 32.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.763 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.1 tp10 -62.12 144.3 55.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.49 ' OD2' HG11 ' A' ' 81' ' ' VAL . 2.5 t0 -121.67 116.31 24.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 47.7 mm-40 -123.84 -10.45 7.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.5 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 2.6 mmm180 -73.43 -28.9 62.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.57 -168.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 42.47 42.63 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.582 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.69 131.17 35.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.5 mmt 59.56 148.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.76 168.25 13.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -144.29 -52.5 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.548 0.213 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.6 p -98.51 107.09 19.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 110.023 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.627 HD13 ' CG ' ' A' ' 80' ' ' LEU . 2.7 pp -60.32 142.68 15.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -105.5 164.9 11.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.624 HD11 HG21 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -138.97 132.87 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.507 ' H ' HD13 ' A' ' 27' ' ' ILE . 1.2 t70 -123.35 88.61 2.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.88 -29.95 62.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 110.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -49.6 -51.3 38.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -103.08 -26.79 12.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 96.23 17.89 32.99 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.545 1.153 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 45' ' ' ALA . 86.5 t -98.3 154.15 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 0.75 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.486 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.6 p -121.59 141.76 50.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 26.5 m -146.38 130.98 17.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.506 HG23 HG22 ' A' ' 25' ' ' ILE . 12.5 p -100.34 150.01 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -111.39 131.02 55.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.1 OUTLIER -148.5 86.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 68.42 -63.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.27 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -124.3 70.27 0.46 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' GLY . 39.2 p -37.89 127.02 1.24 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 0.764 . . . . 0.0 109.976 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -166.38 47.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.426 ' NE2' HD11 ' A' ' 38' ' ' ILE . 91.9 m-70 -123.27 173.22 8.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.589 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -179.22 123.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.496 ' O ' HG13 ' A' ' 33' ' ' VAL . . . -163.22 163.72 16.62 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.473 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.1 Cg_endo -75.06 150.19 37.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.624 HG21 HD11 ' A' ' 27' ' ' ILE . 2.4 t -77.25 -28.8 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -73.05 -5.07 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.0 t -116.55 32.18 6.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.508 HD13 HD22 ' A' ' 80' ' ' LEU . 51.9 mt -100.53 170.48 8.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.98 135.28 6.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 77' ' ' ALA . 3.4 mt -106.1 138.54 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -139.25 178.74 19.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.501 ' OG1' ' CG ' ' A' ' 89' ' ' ARG . 86.3 m -123.05 143.22 50.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 110.363 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.456 ' HB2' HG13 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -108.12 100.77 10.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.5 -13.22 38.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.83 -41.37 86.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.38 9.21 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' ASP . 11.1 mtm180 56.67 50.47 12.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.346 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.0 mt -132.0 161.78 32.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -78.56 142.42 37.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.47 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 1.7 m -121.12 172.91 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.991 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.1 OUTLIER -124.64 139.8 53.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.991 ' N ' HD22 ' A' ' 63' ' ' LEU . 4.3 m-85 -120.03 115.28 23.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.51 HG23 ' O ' ' A' ' 65' ' ' ILE . 14.1 tt -133.26 100.6 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.82 68.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 52.51 57.13 14.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -128.47 160.39 32.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.436 ' CZ ' ' OD2' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -151.6 105.5 3.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 110.339 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER -145.86 171.59 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.47 123.99 47.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.557 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.52 HG21 HG21 ' A' ' 25' ' ' ILE . 3.3 pt -118.25 170.99 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 146.22 55.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.49 -57.15 13.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.14 -42.31 69.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.466 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -64.17 -43.69 94.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.492 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -60.28 -31.08 69.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.3 tm0? -76.06 -38.79 56.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -30.57 71.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.627 ' CG ' HD13 ' A' ' 25' ' ' ILE . 44.3 mt -63.47 -47.72 80.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.535 HG21 ' CG ' ' A' ' 87' ' ' ASP . 2.3 t -60.07 -54.52 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.8 t -54.29 -36.84 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.467 ' HB1' HD11 ' A' ' 27' ' ' ILE . . . -63.48 -32.57 74.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 130.57 42.03 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.94 159.18 17.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 0.794 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.3 tp10 -69.18 142.63 54.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.535 ' CG ' HG21 ' A' ' 81' ' ' VAL . 3.0 t0 -121.81 117.57 26.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.422 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 30.3 mm-40 -122.04 -11.26 8.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.501 ' CG ' ' OG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER -91.13 -30.71 16.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.454 ' O ' HD22 ' A' ' 92' ' ' LEU . 0.3 OUTLIER 51.63 -168.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.342 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 71.19 -66.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.454 HD22 ' O ' ' A' ' 90' ' ' ARG . 3.2 mm? 49.4 -174.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.0 128.29 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.73 120.87 35.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -121.92 168.62 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.467 ' HG2' ' CG2' ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.463 0.173 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -107.4 99.78 9.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.696 HD13 HD11 ' A' ' 80' ' ' LEU . 2.6 pp -60.92 133.37 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.54 163.26 14.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.66 ' O ' HD12 ' A' ' 27' ' ' ILE . 2.5 pp -138.91 156.49 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' VAL . 1.4 t0 -134.97 92.34 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -28.52 62.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -52.87 -49.97 64.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.348 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -99.84 -30.48 12.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.305 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 101.27 15.46 27.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 28' ' ' ASP . 79.0 t -105.66 155.52 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 p -126.27 142.18 51.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.28 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 p -144.78 131.95 20.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -100.57 156.42 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 41' ' ' SER . 2.1 pt-20 -115.63 132.8 56.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -141.69 87.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 9.9 pt-20 44.95 25.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . 156.52 59.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 12.0 p -38.27 135.57 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.68 44.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -120.18 -177.85 3.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.656 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.75 127.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.686 ' HB3' HD11 ' A' ' 65' ' ' ILE . . . -158.9 159.26 29.49 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.69 16.83 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.517 HG13 HD12 ' A' ' 50' ' ' LEU . 41.9 t -62.17 -27.03 41.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -75.1 -2.89 29.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.5 t -116.43 35.57 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.672 HD13 HD22 ' A' ' 80' ' ' LEU . 52.0 mt -105.08 165.58 10.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.47 131.71 4.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.725 HG22 ' HB3' ' A' ' 89' ' ' ARG . 3.2 mt -106.28 141.7 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.16 170.74 26.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.6 m -123.06 136.07 54.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -97.34 103.17 15.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.78 -11.49 46.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.244 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.58 -38.7 92.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.2 9.57 4.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' ASP . 4.5 mtp180 53.83 52.4 13.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.4 mt -130.31 161.51 31.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -87.72 139.96 30.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 m -123.58 172.59 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.782 ' C ' HD13 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -133.99 143.71 48.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.781 ' H ' HD22 ' A' ' 63' ' ' LEU . 13.2 m-85 -119.11 135.02 54.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.686 HD11 ' HB3' ' A' ' 45' ' ' ALA . 16.8 tt -157.35 105.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 2.1 t70 79.01 32.67 0.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 68.07 44.18 78.31 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.534 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -116.26 172.15 7.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 0.788 . . . . 0.0 109.286 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' NE ' ' OD2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -151.25 109.89 3.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.499 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -144.69 170.9 15.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.42 ' N ' HD12 ' A' ' 70' ' ' LEU . 14.1 m-70 -99.74 120.95 40.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.624 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.515 HG21 HG21 ' A' ' 25' ' ' ILE . 13.0 pt -112.52 166.48 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.69 151.03 47.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.05 -56.96 15.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -56.03 -43.31 77.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.495 ' HB3' HD11 ' A' ' 25' ' ' ILE . 4.1 m-20 -62.47 -37.14 84.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.495 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -64.67 -30.62 71.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -77.03 -41.88 40.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -29.13 70.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.267 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.696 HD11 HD13 ' A' ' 25' ' ' ILE . 14.7 mt -61.75 -42.44 98.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.726 HG21 ' OD2' ' A' ' 87' ' ' ASP . 79.4 t -69.11 -46.5 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 45.3 t -56.91 -37.46 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.3 -32.99 74.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.03 40.74 0.3 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 80' ' ' LEU . . . -101.65 158.58 15.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.25 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.59 148.53 46.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.726 ' OD2' HG21 ' A' ' 81' ' ' VAL . 1.8 t0 -129.53 102.52 6.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -121.83 -11.03 8.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.725 ' HB3' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -49.89 -30.22 9.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 179.51 -68.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.42 173.27 1.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 109.625 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.716 ' HG ' HG11 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -164.6 142.37 6.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.78 157.9 32.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.89 144.51 43.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -152.88 125.3 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.1 t0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.514 0.197 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 78.4 p -93.68 124.82 37.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.788 HD13 ' HG ' ' A' ' 80' ' ' LEU . 2.4 pp -70.23 143.23 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.84 164.11 18.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.952 HD13 ' N ' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -139.18 150.99 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.952 ' N ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -131.57 92.46 3.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -31.36 63.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.9 -51.16 66.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -94.85 -24.64 16.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 86.39 23.89 41.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 4.7 t -110.82 164.1 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.45 0.735 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.655 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.7 p -119.41 142.71 47.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 108.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.4 t -146.03 117.23 7.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.042 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.564 HG23 HG22 ' A' ' 25' ' ' ILE . 9.7 p -97.22 151.01 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -92.33 145.87 24.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.415 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -162.02 168.03 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -46.91 -24.67 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 41' ' ' SER . . . -141.3 60.5 0.55 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 40' ' ' GLY . 27.8 t -39.27 127.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 0.737 . . . . 0.0 110.019 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -179.19 48.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.39 176.74 4.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.21 126.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.682 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -173.82 171.38 1.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.682 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.3 Cg_endo -75.02 139.63 24.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.655 HG22 ' HB3' ' A' ' 34' ' ' CYS . 90.6 t -75.35 -25.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -75.4 -2.9 30.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.1 m -116.68 37.86 3.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.843 HD13 HD22 ' A' ' 80' ' ' LEU . 45.3 mt -103.84 170.25 8.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' NH1' ' O ' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -161.76 138.14 8.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.705 ' CD1' HG23 ' A' ' 81' ' ' VAL . 2.9 mt -104.27 140.52 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.476 ' CA ' ' HD3' ' A' ' 89' ' ' ARG . . . -139.13 176.15 21.15 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.4 m -130.17 143.33 50.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.384 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.8 OUTLIER -105.33 104.57 14.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.04 -13.41 35.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.5 -40.28 86.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.22 9.47 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 55' ' ' ASP . 2.0 mtt-85 54.47 51.82 13.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -130.25 159.48 36.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.7 m -84.57 143.48 29.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.694 HG11 ' HD3' ' A' ' 69' ' ' ARG . 3.3 m -127.02 179.01 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.738 HD22 ' H ' ' A' ' 64' ' ' TYR . 1.5 tm? -122.66 142.28 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.738 ' H ' HD22 ' A' ' 63' ' ' LEU . 1.6 m-85 -119.07 123.67 45.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.47 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 17.5 tt -148.79 109.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.47 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 9.3 t0 80.2 17.29 0.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.07 34.17 24.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.453 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -109.19 171.59 7.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.694 ' HD3' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -143.96 108.32 4.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.424 ' CD2' ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -130.59 171.54 12.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -100.42 123.87 45.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.563 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.538 HD13 ' HB2' ' A' ' 63' ' ' LEU . 5.2 pt -123.01 165.12 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.96 146.65 53.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.98 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 13.7 pt-20 -63.75 -47.53 80.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.464 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 5.8 tt0 -64.17 -37.92 89.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -41.19 77.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.527 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -56.91 -35.27 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -77.75 -37.62 48.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -68.45 -31.81 71.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.843 HD22 HD13 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -63.31 -51.83 64.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.705 HG23 ' CD1' ' A' ' 52' ' ' ILE . 2.2 t -55.36 -54.68 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.6 t -51.16 -34.93 14.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -64.01 -27.45 69.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.28 -11.84 2.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.553 ' HB3' ' HA ' ' A' ' 81' ' ' VAL . . . -57.02 149.03 19.89 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.427 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -69.21 148.22 50.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.602 ' OD2' HD22 ' A' ' 92' ' ' LEU . 6.5 t0 -128.09 112.41 14.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.427 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 31.1 mm-40 -121.0 -11.9 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.476 ' HD3' ' CA ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -65.72 -33.09 75.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 75.53 -55.95 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 92' ' ' LEU . 9.5 t-160 -56.41 -58.0 9.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.592 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.602 HD22 ' OD2' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -40.52 104.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.65 -53.2 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 65.05 115.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.02 165.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.533 0.206 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.3 p -72.33 140.61 48.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.716 ' C ' HD12 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -84.91 143.02 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.608 ' N ' HD12 ' A' ' 25' ' ' ILE . 1.4 tp10 -122.58 162.69 21.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.6 HG21 ' HB1' ' A' ' 83' ' ' ALA . 15.7 mm -143.57 144.31 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 32' ' ' GLY . 1.4 t0 -128.86 90.84 3.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 t -73.3 -32.09 64.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -49.96 -49.92 48.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -100.76 -22.81 14.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 88.77 24.7 31.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 23.2 t -108.57 160.56 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.841 ' SG ' HD21 ' A' ' 50' ' ' LEU . 1.7 p -126.41 142.25 51.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -149.01 128.51 13.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.4 p -97.1 151.15 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.28 144.55 27.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.402 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -157.15 169.04 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -42.46 -27.82 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -143.12 70.83 0.4 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 40' ' ' GLY . 12.5 t -39.29 125.7 1.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 110.038 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.38 48.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.67 177.55 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.635 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.39 125.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 110.262 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.638 ' HB3' HD11 ' A' ' 65' ' ' ILE . . . -170.3 162.97 6.24 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.464 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.4 Cg_endo -75.01 142.15 27.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.726 HG22 ' HB3' ' A' ' 34' ' ' CYS . 4.8 t -74.05 -24.5 19.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.81 -1.66 29.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.4 t -126.53 48.23 2.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.841 HD21 ' SG ' ' A' ' 34' ' ' CYS . 98.8 mt -111.17 164.44 12.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -161.75 138.23 8.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.619 ' CD1' HG23 ' A' ' 81' ' ' VAL . 3.0 mt -100.77 140.2 20.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.99 173.47 14.74 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -120.45 134.3 55.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 110.415 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.612 ' HB3' HD23 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -104.39 96.15 6.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.98 -12.42 49.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -39.56 94.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.247 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.592 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.36 12.97 4.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.3 ttt180 50.77 49.76 20.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.612 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.4 OUTLIER -130.51 163.55 26.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.43 ' CB ' ' HG3' ' A' ' 89' ' ' ARG . 7.9 m -80.41 145.34 32.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -125.95 174.3 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.718 HD23 ' C ' ' A' ' 63' ' ' LEU . 3.3 tt -106.47 125.44 51.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.682 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -116.75 120.93 40.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.638 HD11 ' HB3' ' A' ' 45' ' ' ALA . 13.5 tt -146.35 129.89 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.88 15.65 7.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.99 40.9 8.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.27 169.72 8.82 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 0.739 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' CD ' ' C ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -138.56 120.28 15.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.492 HD21 HD13 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -138.75 171.35 14.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.417 ' O ' HD12 ' A' ' 70' ' ' LEU . 0.9 OUTLIER -101.25 123.69 45.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.585 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.489 HG21 HG22 ' A' ' 25' ' ' ILE . 4.2 pt -126.46 170.98 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER -77.57 146.62 36.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.002 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.0 -57.03 12.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.02 -42.16 93.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 25' ' ' ILE . 1.4 t0 -66.42 -27.09 67.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -74.21 -29.07 61.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.562 ' OE1' HD12 ' A' ' 92' ' ' LEU . 1.9 tt0 -75.97 -45.13 36.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -32.93 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.646 ' HG ' HD13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -53.75 -44.57 70.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.717 HG21 ' CG ' ' A' ' 87' ' ' ASP . 3.5 t -72.06 -49.65 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.0 t -51.39 -35.88 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.6 ' HB1' HG21 ' A' ' 27' ' ' ILE . . . -62.52 -23.97 67.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 128.79 -0.63 6.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -70.14 153.73 42.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.414 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.3 tp10 -64.94 150.95 46.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.717 ' CG ' HG21 ' A' ' 81' ' ' VAL . 3.7 t0 -122.44 115.08 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.414 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 56.6 mm-40 -123.36 -10.96 7.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.43 ' HG3' ' CB ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -72.2 -24.87 61.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 46.34 -167.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 41.26 33.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.562 HD12 ' OE1' ' A' ' 78' ' ' GLN . 0.1 OUTLIER -69.18 99.85 1.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.99 153.88 17.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -165.6 -65.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.09 122.74 15.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.483 ' CE ' ' CE1' ' A' ' 71' ' ' HIS . 5.7 ptp . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.5 p -101.14 103.28 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.652 ' C ' HD12 ' A' ' 25' ' ' ILE . 1.6 pp -53.25 143.03 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.2 OUTLIER -113.82 161.42 17.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 27' ' ' ILE . 22.2 mm -125.36 135.32 64.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 6.1 t0 -126.22 89.84 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.153 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 t -73.08 -22.77 60.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.016 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.3 -50.74 38.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -111.68 -24.36 10.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.54 12.35 41.58 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 45' ' ' ALA . 80.6 t -95.34 155.32 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.592 ' SG ' HD11 ' A' ' 50' ' ' LEU . 3.6 p -114.25 143.56 44.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 108.247 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 0.4 OUTLIER -139.2 113.27 8.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.028 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.455 ' CG2' HG22 ' A' ' 25' ' ' ILE . 9.4 p -96.96 151.87 4.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.48 146.59 27.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.406 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -157.72 169.09 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -41.66 -27.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 38' ' ' ILE . . . -141.98 70.63 0.42 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.46 ' O ' ' CG ' ' A' ' 42' ' ' ARG . 6.2 t -39.27 133.34 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 41' ' ' SER . 1.6 mtp180 175.52 47.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.493 ' CE1' ' HE3' ' A' ' 68' ' ' LYS . 20.0 m170 -125.63 174.22 8.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.618 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.418 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 4.6 mtp180 163.92 133.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.471 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -172.3 163.61 4.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.4 Cg_endo -74.97 141.87 27.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 t -69.34 -25.6 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -77.13 -0.57 25.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -127.07 34.8 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.835 HD13 HD22 ' A' ' 80' ' ' LEU . 67.8 mt -104.02 177.91 4.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.0 132.8 5.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.59 HD12 HG23 ' A' ' 81' ' ' VAL . 2.9 mt -107.45 140.96 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.77 179.02 22.23 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 84.8 m -120.8 142.36 49.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 0.784 . . . . 0.0 110.415 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' NH2' ' A' ' 69' ' ' ARG . 0.3 OUTLIER -104.51 100.36 10.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.86 -11.31 45.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -60.58 -40.58 92.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.49 9.28 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.9 ttt-85 57.44 50.47 11.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -132.38 161.42 33.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m -82.03 147.92 28.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 m -131.69 173.7 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.876 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -130.97 142.58 50.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.876 ' N ' HD22 ' A' ' 63' ' ' LEU . 12.9 m-85 -114.23 119.73 38.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.762 HG23 ' CE ' ' A' ' 68' ' ' LYS . 5.3 tt -129.76 140.6 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 60.61 -85.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . -165.04 28.3 0.2 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.762 ' CE ' HG23 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -128.83 165.59 20.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 0.761 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -124.57 142.57 51.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.57 171.44 18.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.483 ' CE1' ' CE ' ' A' ' 23' ' ' MET . 11.6 p80 -98.58 121.9 41.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.54 HG21 HG21 ' A' ' 25' ' ' ILE . 2.3 pt -119.98 164.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.5 155.02 19.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 16.2 pt-20 -71.05 -50.05 38.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.454 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 11.4 pt-20 -62.32 -42.37 99.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.39 -31.96 72.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -67.21 -31.56 72.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -75.85 -44.23 41.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -55.89 -32.04 63.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.835 HD22 HD13 ' A' ' 50' ' ' LEU . 3.6 mt -58.52 -43.05 89.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.59 HG23 HD12 ' A' ' 52' ' ' ILE . 42.8 t -65.43 -47.13 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 51.8 t -60.49 -37.24 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.71 -33.25 75.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.23 42.27 0.24 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.411 ' HB3' ' C ' ' A' ' 80' ' ' LEU . . . -105.93 155.83 18.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.423 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -63.39 149.47 45.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.246 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -125.17 112.62 16.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.423 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 23.5 mm-40 -122.09 -11.24 8.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -31.09 68.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.43 -61.61 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -76.3 68.51 2.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.611 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.419 ' C ' HD13 ' A' ' 92' ' ' LEU . 3.3 tm? -110.45 111.31 22.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.406 ' O ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -46.8 123.76 5.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -125.88 82.37 2.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -69.03 -54.95 12.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.413 ' HG2' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.496 0.189 . . . . 0.0 110.963 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.01 120.32 32.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.04 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.736 HG21 HD13 ' A' ' 72' ' ' ILE . 1.2 pp -72.04 141.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.572 1.17 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -120.26 164.34 16.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.49 HD11 ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER -130.17 150.0 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 3.2 t0 -129.37 88.96 2.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.24 -24.3 60.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.48 -51.3 60.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -107.27 -27.76 10.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 104.19 9.91 35.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.536 1.147 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.504 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 76.7 t -93.8 165.11 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.503 0.766 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.68 ' SG ' HG23 ' A' ' 47' ' ' VAL . 7.9 m -127.58 141.87 51.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 108.276 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 8.8 p -142.23 123.04 14.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.5 p -97.06 157.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -101.23 147.48 26.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.416 ' C ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -161.76 168.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -41.4 -28.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 110.319 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . -141.76 61.88 0.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 t -45.84 128.31 8.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.78 . . . . 0.0 109.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 179.84 48.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.41 179.0 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.63 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.496 ' CG ' HG11 ' A' ' 33' ' ' VAL . 9.9 ttm180 -179.76 127.65 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -173.05 149.45 1.78 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 142.4 27.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.475 1.777 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.68 HG23 ' SG ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -53.83 -39.39 39.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -62.37 -12.73 22.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.5 m -112.68 25.65 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.95 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.534 HD12 ' CG2' ' A' ' 47' ' ' VAL . 50.7 mt -102.23 -178.94 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.445 ' HA ' ' CB ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -162.51 130.54 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.738 HD12 HG23 ' A' ' 81' ' ' VAL . 3.2 mt -106.71 140.51 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.65 178.85 20.21 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 98.6 m -126.52 139.84 52.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.488 ' OD1' ' CZ ' ' A' ' 69' ' ' ARG . 0.7 OUTLIER -103.25 109.32 20.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.3 -10.2 56.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -62.52 -39.61 94.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.334 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.615 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.56 13.39 4.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 51.27 49.71 20.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.165 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' A' ' 71' ' ' HIS . 0.5 OUTLIER -130.19 164.31 24.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.6 m -82.94 145.54 29.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.977 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 m -125.36 168.36 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.992 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -126.53 140.03 52.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.342 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.992 ' N ' HD22 ' A' ' 63' ' ' LEU . 18.5 m-85 -120.45 110.87 17.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 65' ' ' ILE . 8.2 tt -120.85 100.29 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 60.72 73.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.38 55.93 14.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.513 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 0.7 OUTLIER -126.45 162.33 25.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.488 ' CZ ' ' OD1' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -151.19 104.7 3.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.595 HD21 HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -148.49 171.34 16.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.764 ' HB2' HD11 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -108.26 109.0 20.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.082 . . . . 0.0 109.573 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.736 HD13 HG21 ' A' ' 25' ' ' ILE . 12.1 pt -95.76 165.41 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.74 145.16 35.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -56.57 19.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -55.81 -42.26 75.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.66 -42.92 85.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -30.45 70.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -76.7 -39.56 51.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -34.47 77.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.651 ' CD2' HD13 ' A' ' 25' ' ' ILE . 13.7 mt -57.2 -45.16 84.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.738 HG23 HD12 ' A' ' 52' ' ' ILE . 54.6 t -69.22 -46.25 77.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.9 t -54.17 -36.91 33.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.49 ' HB1' HD11 ' A' ' 27' ' ' ILE . . . -68.21 -32.93 73.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.424 ' C ' HG13 ' A' ' 47' ' ' VAL . . . 125.38 39.62 0.43 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -96.67 160.92 14.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 0.757 . . . . 0.0 109.313 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.445 ' CB ' ' HA ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -61.97 142.12 57.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.428 ' OD1' HG11 ' A' ' 81' ' ' VAL . 4.3 t0 -125.05 95.96 4.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -120.02 -10.87 9.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.654 ' HB3' HG22 ' A' ' 52' ' ' ILE . 1.6 ptm180 -48.09 -31.16 5.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.349 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.43 -51.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.43 -69.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.575 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.415 HD12 ' OD1' ' A' ' 87' ' ' ASP . 0.1 OUTLIER -169.33 -61.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -178.49 165.53 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -117.06 163.63 15.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -126.8 160.13 31.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.516 0.198 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.3 p -106.87 110.51 22.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.642 HG21 HG21 ' A' ' 72' ' ' ILE . 2.1 pp -59.9 143.15 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.4 tp10 -119.41 163.02 17.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 110.252 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.43 HG21 ' HB2' ' A' ' 83' ' ' ALA . 39.4 mm -137.59 148.26 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -131.85 89.75 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.0 p -73.25 -31.55 64.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -54.87 -50.22 69.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -95.94 -20.63 18.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.254 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 82.99 35.37 18.72 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 3.4 t -125.29 164.08 25.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.458 0.74 . . . . 0.0 109.244 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.506 ' N ' ' CG1' ' A' ' 33' ' ' VAL . 1.6 p -124.99 141.91 51.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 108.266 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.433 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 5.0 t -139.3 122.91 17.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.406 HG22 HG22 ' A' ' 25' ' ' ILE . 42.4 t -97.03 151.51 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.447 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 4.3 mt-10 -108.75 132.08 54.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.278 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 1.9 mt -151.35 86.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 40.92 47.92 2.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.14 52.43 1.48 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -99.99 123.83 44.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -114.05 46.47 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.9 -179.98 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.96 122.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -165.33 163.68 13.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.2 Cg_endo -75.05 144.03 29.58 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 110.967 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.3 t -66.9 -27.45 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -75.15 -2.99 30.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 m -115.58 34.93 4.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.035 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.731 HD13 HD23 ' A' ' 80' ' ' LEU . 83.3 mt -104.2 172.34 6.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' CB ' ' HB2' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -161.33 128.8 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.85 HD12 HG23 ' A' ' 81' ' ' VAL . 2.9 mt -109.57 141.26 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.0 175.23 26.49 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.531 1.145 . . . . 0.0 111.042 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 60' ' ' LEU . 17.3 m -139.17 143.17 38.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.381 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.49 116.03 31.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.01 -8.02 45.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -42.9 84.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.023 ' HB3' HD12 ' A' ' 60' ' ' LEU . . . -134.47 13.11 3.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 50.8 ttt180 55.84 45.52 24.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.023 HD12 ' HB3' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -118.69 163.41 16.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.1 m -95.19 150.66 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.592 HG12 ' CD2' ' A' ' 71' ' ' HIS . 2.8 m -130.89 171.13 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.803 HD22 ' H ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -134.92 143.76 47.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.102 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.803 ' H ' HD22 ' A' ' 63' ' ' LEU . 52.6 m-85 -119.03 133.16 55.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 16.4 tt -156.33 102.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 5.3 t0 82.41 37.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.38 40.44 99.06 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.459 1.1 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.57 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -113.78 173.29 6.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.88 113.36 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.57 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -144.84 171.43 14.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.592 ' CD2' HG12 ' A' ' 62' ' ' VAL . 23.3 m170 -104.05 124.16 48.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.579 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.642 HG21 HG21 ' A' ' 25' ' ' ILE . 10.2 pt -115.24 170.69 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.429 ' CB ' ' HB2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -64.8 146.03 55.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.66 -57.12 13.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -58.93 -37.44 76.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.138 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.429 ' HB2' ' CB ' ' A' ' 73' ' ' SER . 1.0 OUTLIER -68.62 -31.32 70.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.587 ' HA ' HD11 ' A' ' 72' ' ' ILE . . . -69.61 -30.17 67.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.9 tm0? -76.05 -44.21 40.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -57.89 -29.66 65.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.731 HD23 HD13 ' A' ' 50' ' ' LEU . 1.3 mt -61.18 -41.65 97.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.85 HG23 HD12 ' A' ' 52' ' ' ILE . 22.2 t -67.54 -48.48 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.0 t -54.84 -37.01 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 27' ' ' ILE . . . -63.79 -25.94 68.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.56 19.2 5.83 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -78.97 157.62 28.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -55.46 149.5 13.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.498 ' OD1' ' CD1' ' A' ' 92' ' ' LEU . 6.6 t0 -133.6 102.39 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -119.43 -13.63 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.467 ' HD3' ' CG2' ' A' ' 52' ' ' ILE . 29.9 ptt180 -75.93 -21.31 57.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.35 -168.48 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.526 ' CD2' ' OD1' ' A' ' 95' ' ' ASP . 2.6 t-80 79.61 -71.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.629 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.498 ' CD1' ' OD1' ' A' ' 87' ' ' ASP . 0.0 OUTLIER 50.12 69.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.98 90.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 61.57 120.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.526 ' OD1' ' CD2' ' A' ' 91' ' ' HIS . 3.7 p-10 -116.02 133.99 55.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.457 ' HG3' HG22 ' A' ' 38' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.458 0.17 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.415 ' HA ' ' OD1' ' A' ' 76' ' ' ASP . 39.6 p -114.42 132.57 56.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.614 ' O ' HD13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -78.6 143.14 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER -114.51 163.74 14.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.1 mm -138.3 142.29 35.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -128.62 89.41 2.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 m -73.89 -45.93 47.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.954 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.66 -51.22 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.272 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -87.87 -25.01 23.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 77.49 54.67 4.56 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 2.9 t -147.79 164.39 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.837 ' SG ' HD21 ' A' ' 50' ' ' LEU . 1.8 p -117.28 143.12 46.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 108.259 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 85.3 p -146.03 118.42 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.81 150.46 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -108.73 124.78 51.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.2 pp -146.87 86.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 38' ' ' ILE . 9.2 tp10 67.28 -60.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -126.24 67.92 0.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' GLY . 16.2 t -37.57 135.18 0.6 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 110.003 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.53 45.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -100.26 173.11 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -175.16 119.46 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.243 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -168.6 159.38 8.47 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.75 20.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.435 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 55.6 t -68.29 -26.44 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -75.8 -1.58 25.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.9 m -126.73 48.27 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.837 HD21 ' SG ' ' A' ' 34' ' ' CYS . 96.5 mt -111.35 164.65 12.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.65 138.73 8.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.633 HD12 HG23 ' A' ' 81' ' ' VAL . 3.4 mt -108.49 142.86 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.81 179.08 16.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.493 ' OG1' ' CD ' ' A' ' 89' ' ' ARG . 86.5 m -125.49 142.17 51.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.423 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.451 ' CB ' HD23 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -110.88 105.5 14.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.9 -9.59 55.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.31 -36.9 77.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.508 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.42 15.05 4.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 55' ' ' ASP . 51.0 mtp180 45.05 48.92 9.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -128.21 164.13 23.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.6 m -85.3 140.71 30.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.844 HG11 ' HE ' ' A' ' 69' ' ' ARG . 3.3 m -119.96 168.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.972 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.5 OUTLIER -122.52 138.1 54.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.972 ' N ' HD22 ' A' ' 63' ' ' LEU . 4.0 m-85 -119.12 111.47 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 5.7 tt -127.08 112.3 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 3.6 t0 79.56 13.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.6 31.71 20.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.895 ' HD2' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -105.52 172.86 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.844 ' HE ' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -137.32 115.92 12.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.908 HD21 HD12 ' A' ' 63' ' ' LEU . 1.2 pt? -136.62 171.35 14.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 2.0 p-80 -110.26 114.91 28.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.55 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 77' ' ' ALA . 4.8 pt -113.64 166.28 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.44 ' CB ' ' HB2' ' A' ' 76' ' ' ASP . 0.3 OUTLIER -64.88 144.93 56.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.99 -57.56 9.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.286 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -59.63 -40.61 88.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.561 ' CB ' HD12 ' A' ' 25' ' ' ILE . 0.8 OUTLIER -65.12 -30.49 71.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.494 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -71.08 -30.01 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -77.26 -38.81 50.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -66.58 -32.27 73.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.463 HD12 HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -56.77 -46.63 81.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.633 HG23 HD12 ' A' ' 52' ' ' ILE . 3.0 t -66.51 -50.31 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.0 t -51.1 -35.89 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.1 -24.48 67.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 132.49 -4.79 5.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -65.6 150.76 47.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.426 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.9 OUTLIER -65.44 149.87 49.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.558 ' CG ' HG21 ' A' ' 81' ' ' VAL . 5.1 t0 -121.05 108.63 14.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.426 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 30.1 mm-40 -121.49 -11.22 8.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.493 ' CD ' ' OG1' ' A' ' 54' ' ' THR . 0.1 OUTLIER -49.11 -45.26 43.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.46 -56.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.12 167.57 4.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.628 HD11 ' CG1' ' A' ' 81' ' ' VAL . 0.0 OUTLIER -81.83 137.54 35.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -51.28 11.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.48 147.66 32.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.49 112.15 14.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.437 ' HG3' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.499 0.19 . . . . 0.0 111.036 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -115.41 100.44 8.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.825 HD13 HD11 ' A' ' 80' ' ' LEU . 1.5 pp -53.04 126.64 9.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.474 ' CB ' ' O ' ' A' ' 35' ' ' SER . 4.1 tp10 -94.56 164.94 12.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.48 HD11 ' HB1' ' A' ' 83' ' ' ALA . 0.5 OUTLIER -139.14 127.91 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.507 ' CB ' ' O ' ' A' ' 33' ' ' VAL . 1.8 t0 -117.07 88.5 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.98 -19.78 60.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.981 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.92 -51.2 70.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -99.7 -30.98 11.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.339 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.77 ' O ' HG23 ' A' ' 47' ' ' VAL . . . 101.73 25.78 7.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 28' ' ' ASP . 94.7 t -118.57 154.92 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.989 ' SG ' HG22 ' A' ' 47' ' ' VAL . 52.9 m -127.2 143.84 51.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.266 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 71.2 m -146.41 129.02 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.534 ' HB ' HG22 ' A' ' 25' ' ' ILE . 12.6 p -96.88 149.4 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 3.1 pt-20 -109.48 135.54 50.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.464 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 2.0 mt -149.35 88.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 11.8 pt-20 44.49 27.64 0.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.248 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.58 57.26 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.402 ' HB3' ' CB ' ' A' ' 37' ' ' GLU . 43.8 p -39.67 123.8 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.753 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -157.85 48.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.23 175.04 7.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.579 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.79 127.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.712 ' HB3' HD11 ' A' ' 65' ' ' ILE . . . -163.79 155.53 14.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 144.84 30.72 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.989 HG22 ' SG ' ' A' ' 34' ' ' CYS . 2.7 t -65.54 -25.97 38.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -78.34 0.55 25.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 m -120.21 35.45 4.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.572 HD13 HD22 ' A' ' 80' ' ' LEU . 75.0 mt -106.85 168.41 9.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.09 129.0 3.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.527 HD12 ' CG2' ' A' ' 81' ' ' VAL . 3.2 mt -106.47 141.39 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -140.41 176.22 21.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -119.85 133.14 55.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 0.774 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.78 ' HB3' HD23 ' A' ' 60' ' ' LEU . 32.8 t0 -104.95 96.79 6.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.94 -12.73 39.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -58.92 -40.81 85.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.585 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.35 14.05 4.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 49.16 49.99 18.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.78 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.5 OUTLIER -130.29 164.26 25.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.4 p -84.91 139.92 31.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.984 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.04 160.85 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.881 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -123.55 142.42 51.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.881 ' N ' HD22 ' A' ' 63' ' ' LEU . 46.5 m-85 -118.91 129.66 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 45' ' ' ALA . 13.9 tt -151.13 104.02 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 1.1 t70 82.68 34.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.6 42.7 97.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.563 1.164 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.529 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -118.66 174.11 6.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.378 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.401 ' NH2' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -151.12 115.42 5.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.437 ' CD1' ' HG3' ' A' ' 23' ' ' MET . 0.1 OUTLIER -141.01 168.46 19.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.428 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -99.86 108.75 21.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.527 ' CD1' ' HB2' ' A' ' 77' ' ' ALA . 1.7 pt -102.99 169.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.11 144.91 50.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.002 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 9.5 pt-20 -55.72 -46.64 77.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.459 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 13.0 pt-20 -63.15 -42.42 99.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.62 ' HB3' HD11 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -64.86 -36.2 83.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.527 ' HB2' ' CD1' ' A' ' 72' ' ' ILE . . . -67.72 -29.72 69.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.637 ' HA ' HD12 ' A' ' 92' ' ' LEU . 21.9 tp60 -77.42 -36.52 53.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.147 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -67.0 -31.85 72.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.825 HD11 HD13 ' A' ' 25' ' ' ILE . 18.0 mt -61.78 -48.89 78.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.527 ' CG2' HD12 ' A' ' 52' ' ' ILE . 75.6 t -61.64 -51.43 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.517 HG23 HE21 ' A' ' 78' ' ' GLN . 42.0 t -54.16 -36.3 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.731 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -67.36 -21.97 65.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.23 8.5 8.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.56 ' HB3' ' C ' ' A' ' 80' ' ' LEU . . . -68.49 154.32 42.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -58.18 151.52 18.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -133.05 100.34 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -121.71 -10.75 8.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -49.38 -48.8 46.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.337 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 177.89 -59.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 175.32 65.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 78' ' ' GLN . 0.5 OUTLIER -42.3 111.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.97 142.35 30.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -169.88 104.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.57 155.13 18.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 32.5 t0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.358 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.3 tpp . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.506 0.193 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.32 135.92 52.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 110.068 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.564 HG21 HG21 ' A' ' 72' ' ' ILE . 1.8 pp -78.46 143.02 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.4 tp10 -115.08 163.57 15.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.1 tp -131.45 150.51 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -129.37 91.0 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.15 -56.74 4.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.039 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.26 -51.06 47.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.282 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -78.41 -26.25 46.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 73.23 59.17 4.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 45' ' ' ALA . 0.7 OUTLIER -158.24 173.25 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.629 ' N ' HG13 ' A' ' 33' ' ' VAL . 1.4 p -124.69 140.43 52.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 13.0 m -146.57 124.71 12.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 25' ' ' ILE . 47.3 t -96.82 150.11 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 3.4 pt-20 -106.21 137.33 44.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.44 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 2.2 mt -150.75 92.91 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 38' ' ' ILE . 12.4 pt-20 42.88 47.09 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.93 51.76 2.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 t -107.28 113.65 27.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 0.774 . . . . 0.0 109.965 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.7 ttt-85 -100.03 50.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -178.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.633 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -179.79 125.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.725 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -161.67 163.52 19.46 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.3 Cg_endo -74.97 142.95 28.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.466 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 3.4 t -70.69 -27.78 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -73.48 -4.52 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.0 m -117.54 34.06 5.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.99 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.739 HD13 HD22 ' A' ' 80' ' ' LEU . 68.3 mt -101.54 171.54 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.6 129.3 4.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.779 HD12 HG23 ' A' ' 81' ' ' VAL . 2.7 mt -108.73 141.11 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.9 179.02 22.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.2 m -131.25 134.91 46.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 110.382 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 59' ' ' ARG . 2.1 t0 -97.15 101.04 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.02 -12.86 42.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -39.73 90.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.12 9.55 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 55' ' ' ASP . 1.8 ttt180 54.45 52.12 12.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -130.12 160.82 32.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.5 p -84.43 141.83 30.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.584 HG11 ' HE ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -128.23 162.06 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.959 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -122.7 139.9 53.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.959 ' N ' HD22 ' A' ' 63' ' ' LEU . 5.1 m-30 -119.18 110.66 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.487 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 13.7 tt -130.68 102.59 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 5.9 t0 81.79 49.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 50.26 44.21 43.59 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.563 ' HD2' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -116.1 176.45 5.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 109.377 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.584 ' HE ' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -150.94 114.66 4.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.563 HD23 ' HD2' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -143.32 171.26 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -104.01 120.99 42.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.658 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.564 HG21 HG21 ' A' ' 25' ' ' ILE . 1.5 pt -119.38 166.4 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 10.8 t -70.08 154.2 42.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.61 -57.25 7.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.92 -45.02 60.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.35 -26.91 62.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.493 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -72.33 -30.38 64.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.33 -46.24 28.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -54.69 -30.04 54.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.36 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.739 HD22 HD13 ' A' ' 50' ' ' LEU . 14.2 mt -60.97 -41.06 95.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.779 HG23 HD12 ' A' ' 52' ' ' ILE . 24.1 t -67.19 -51.95 48.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.52 -36.83 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.28 73.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.27 38.68 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.432 1.082 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.57 156.18 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -54.78 150.13 10.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.488 ' OD1' ' CD1' ' A' ' 92' ' ' LEU . 8.1 t0 -132.86 99.33 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -120.04 -12.42 9.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -73.32 -22.77 60.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 62.99 -161.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 65.65 -85.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.571 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.488 ' CD1' ' OD1' ' A' ' 87' ' ' ASP . 0.2 OUTLIER 58.13 75.71 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.24 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.7 ptm -41.41 144.2 0.37 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -155.28 158.8 39.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 58.05 164.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.9 ttp . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.53 0.205 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 49.8 m -118.54 102.15 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.672 ' O ' HD12 ' A' ' 25' ' ' ILE . 2.8 pp -54.86 124.35 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -103.13 160.95 14.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.255 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.802 ' O ' HD12 ' A' ' 27' ' ' ILE . 2.0 pp -125.11 156.44 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.3 OUTLIER -132.84 91.56 2.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.6 p -73.21 -46.4 50.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.948 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -51.16 66.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.27 -29.88 38.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 81.91 45.47 7.16 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.024 HG22 ' O ' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -144.95 173.82 3.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 0.791 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.763 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.6 p -127.05 141.17 51.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 108.33 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 p -147.38 138.24 23.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.5 p -110.31 151.36 12.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -110.65 128.01 55.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' GLY . 1.0 OUTLIER -144.17 86.15 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 68.42 -62.96 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . -119.86 74.33 0.32 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.483 1.115 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 40' ' ' GLY . 27.4 p -37.93 124.43 1.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 110.047 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.01 49.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -124.48 165.83 17.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.62 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -177.82 118.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 1.024 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -150.82 167.82 12.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.599 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.0 Cg_endo -75.05 144.97 30.72 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.763 HG22 ' HB3' ' A' ' 34' ' ' CYS . 61.2 t -85.14 -28.45 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -74.26 -4.01 33.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.243 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.3 t -118.57 31.73 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.973 HD13 HD22 ' A' ' 80' ' ' LEU . 62.5 mt -99.11 175.48 5.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.13 129.4 4.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.414 HD11 ' O ' ' A' ' 77' ' ' ALA . 3.3 mt -105.77 144.34 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.7 175.24 25.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.5 m -123.54 137.23 54.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.784 . . . . 0.0 110.432 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.505 ' HB3' HD23 ' A' ' 60' ' ' LEU . 5.9 t0 -106.76 103.46 12.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.18 -11.32 48.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.64 -40.8 84.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.623 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.39 13.46 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 51.89 50.1 19.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -131.58 164.09 26.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 p -84.05 149.64 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.935 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.461 HG21 ' CZ ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -129.77 169.14 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.86 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.4 OUTLIER -128.0 142.1 51.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.86 ' N ' HD22 ' A' ' 63' ' ' LEU . 8.6 m-85 -118.98 125.78 50.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.453 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 11.3 tt -146.03 109.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 65' ' ' ILE . 6.2 t0 78.91 22.21 0.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.28 34.94 44.4 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -111.31 170.51 8.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.461 ' CZ ' HG21 ' A' ' 62' ' ' VAL . 4.0 tpp85 -137.68 121.14 17.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.587 HD21 HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -145.31 171.45 14.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.49 ' HB2' HD11 ' A' ' 60' ' ' LEU . 1.8 p80 -105.45 118.37 36.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.589 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.8 pt -112.65 170.3 4.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.56 144.94 45.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 75' ' ' GLU . 12.6 pt-20 -54.53 -48.73 71.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.453 ' N ' ' CG ' ' A' ' 74' ' ' GLU . 13.2 pt-20 -63.69 -41.71 98.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.566 ' HB3' HD11 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -65.63 -30.06 70.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.414 ' O ' HD11 ' A' ' 52' ' ' ILE . . . -70.89 -30.0 66.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.69 ' OE1' HG23 ' A' ' 82' ' ' VAL . 1.0 OUTLIER -77.0 -41.81 41.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -31.82 71.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.973 HD22 HD13 ' A' ' 50' ' ' LEU . 23.2 mt -59.98 -44.42 94.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.7 t -64.96 -48.49 83.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.69 HG23 ' OE1' ' A' ' 78' ' ' GLN . 49.6 t -58.45 -37.41 63.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.431 ' CB ' HG11 ' A' ' 47' ' ' VAL . . . -65.95 -31.73 72.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.07 40.39 0.41 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.32 158.22 16.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 0.73 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.409 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -67.71 144.63 55.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -126.68 108.79 11.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.409 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 15.7 mm-40 -120.85 -12.44 8.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 110.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -14.38 62.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER 55.99 -162.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 68.86 -67.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.168 . . . . 0.0 109.628 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 90' ' ' ARG . 0.2 OUTLIER -41.52 114.5 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.38 138.28 35.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.29 115.92 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -81.05 168.14 18.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 t0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.48 ' HG2' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.531 0.205 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.6 t -99.6 142.55 30.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 109.98 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.633 ' C ' HD12 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -90.22 127.74 42.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.0 tp10 -105.03 162.9 12.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.4 mm -141.94 141.78 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.347 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.76 92.26 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.96 -56.51 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.97 -51.09 62.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.9 mp0 -72.64 -29.09 63.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.83 57.4 3.79 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 45' ' ' ALA . 0.5 OUTLIER -161.3 173.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.885 ' SG ' HD21 ' A' ' 50' ' ' LEU . 1.8 p -126.8 143.17 51.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 43.9 p -144.83 121.53 11.17 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.099 . . . . 0.0 109.997 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.44 HG21 HD13 ' A' ' 63' ' ' LEU . 12.0 p -96.95 152.53 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.447 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 2.7 mt-10 -106.57 131.23 53.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CG1' ' C ' ' A' ' 37' ' ' GLU . 1.9 mt -151.21 86.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' ILE . 7.0 pt-20 38.12 45.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.35 51.73 1.04 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' ARG . 35.6 t -94.95 -65.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 110.002 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 41' ' ' SER . 26.1 mtt-85 38.28 40.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -172.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -154.2 114.13 3.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.719 ' O ' HG22 ' A' ' 33' ' ' VAL . . . -149.09 159.56 36.92 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.55 17.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.562 1.822 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.499 HG22 ' HB3' ' A' ' 34' ' ' CYS . 3.4 t -60.31 -26.12 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 p30 -77.64 -0.35 26.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.6 t -125.45 44.28 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.993 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.885 HD21 ' SG ' ' A' ' 34' ' ' CYS . 53.8 mt -106.62 169.54 8.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.23 138.19 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.782 HD12 HG23 ' A' ' 81' ' ' VAL . 3.3 mt -108.87 144.72 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.23 176.66 18.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.155 . . . . 0.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.6 m -131.19 135.03 47.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.41 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.898 ' HB3' HD23 ' A' ' 60' ' ' LEU . 32.4 t70 -109.32 99.7 8.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.9 -8.78 47.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -69.37 -35.4 75.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.51 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -132.25 15.04 4.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 46.68 49.13 14.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.343 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.898 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.2 OUTLIER -133.85 164.44 27.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 67.5 m -86.73 152.88 22.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.035 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 71' ' ' HIS . 2.8 m -125.02 174.46 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.755 HD23 ' N ' ' A' ' 64' ' ' TYR . 3.2 tt -116.38 128.23 55.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.755 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.5 OUTLIER -113.92 111.15 21.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.528 HD12 HD23 ' A' ' 50' ' ' LEU . 3.8 tp -121.88 122.97 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 67.33 -72.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . -170.16 37.67 0.19 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.496 ' CG ' ' N ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -120.66 168.8 11.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.248 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.496 ' N ' ' CG ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -145.45 121.2 10.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.48 HD12 ' HG2' ' A' ' 23' ' ' MET . 0.3 OUTLIER -136.36 170.6 15.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.407 ' HA ' HG12 ' A' ' 62' ' ' VAL . 8.7 m-70 -94.83 121.66 36.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.584 HD13 HG21 ' A' ' 25' ' ' ILE . 1.7 pt -119.35 170.29 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.95 153.8 42.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -57.24 12.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -56.74 -42.59 79.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.59 -35.77 81.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -65.56 -30.81 71.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.243 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.3 tm0? -77.06 -40.68 45.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -61.55 -34.29 75.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.621 ' HG ' HD13 ' A' ' 25' ' ' ILE . 1.4 mt -53.4 -45.13 69.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.969 HG21 ' OD1' ' A' ' 87' ' ' ASP . 3.5 t -68.55 -50.46 55.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.8 t -51.88 -36.73 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.8 -23.06 67.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.53 9.5 8.45 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -71.5 158.1 36.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 0.764 . . . . 0.0 109.346 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.415 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -67.27 150.18 49.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.969 ' OD1' HG21 ' A' ' 81' ' ' VAL . 2.7 t0 -127.62 106.19 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.415 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 46.8 mm-40 -121.74 -11.47 8.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -35.66 58.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.02 -61.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -161.85 159.01 26.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.603 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.451 ' HG ' ' CG1' ' A' ' 81' ' ' VAL . 0.4 OUTLIER -83.65 140.34 32.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.1 mtt 58.93 111.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.14 109.65 15.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -101.15 115.26 30.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.59 ' HG3' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.508 0.194 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.0 p -77.46 141.12 39.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.022 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.709 HD13 ' HG ' ' A' ' 80' ' ' LEU . 1.2 pp -95.82 141.23 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 35' ' ' SER . 2.7 tp10 -110.29 163.32 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.452 ' HA ' HD13 ' A' ' 27' ' ' ILE . 19.6 mm -136.66 133.31 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -120.76 88.86 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -73.43 -42.42 62.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.996 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -48.91 -51.1 31.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -90.08 -23.73 21.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 78.68 38.58 23.73 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 34' ' ' CYS . 2.8 t -126.13 164.45 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.767 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.913 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.9 p -116.57 142.34 47.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 108.321 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 42.0 m -149.26 119.64 7.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.485 HG23 HG22 ' A' ' 25' ' ' ILE . 10.6 p -97.95 150.68 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 2.9 mt-10 -106.27 128.99 54.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.59 HG23 ' HG3' ' A' ' 23' ' ' MET . 0.2 OUTLIER -153.96 86.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 38' ' ' ILE . 2.8 pt-20 32.03 69.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.45 64.29 1.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 t -114.24 123.9 50.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.028 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -124.07 47.38 2.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.02 -177.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.603 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.8 127.46 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.665 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -171.07 170.52 2.84 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.665 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.4 Cg_endo -74.98 126.95 10.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.464 1.771 . . . . 0.0 111.011 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.913 HG22 ' HB3' ' A' ' 34' ' ' CYS . 46.1 t -68.92 -20.26 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -79.82 -3.94 49.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 t -127.27 50.01 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.557 HD21 ' SG ' ' A' ' 34' ' ' CYS . 91.7 mt -110.98 176.02 5.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -161.4 136.96 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.552 HD12 HG23 ' A' ' 81' ' ' VAL . 3.6 mt -111.16 144.64 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.49 179.34 18.52 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 60' ' ' LEU . 15.7 m -143.03 142.33 31.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.388 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' ARG . 0.4 OUTLIER -94.4 111.6 23.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.23 -7.47 47.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.251 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.58 -35.13 65.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -133.65 13.29 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' ASP . 8.0 mtm180 48.32 45.45 20.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 54' ' ' THR . 13.6 mt -113.8 163.1 15.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.43 147.99 23.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' ' 71' ' ' HIS . 2.5 m -132.62 172.89 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.873 HD22 ' N ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -134.42 143.15 47.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.873 ' N ' HD22 ' A' ' 63' ' ' LEU . 14.8 m-85 -119.07 124.53 47.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.432 HG23 ' HG2' ' A' ' 68' ' ' LYS . 16.7 tt -130.09 124.61 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.26 -65.84 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . 177.21 37.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' HG2' HG23 ' A' ' 65' ' ' ILE . 0.6 OUTLIER -116.71 172.52 7.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.68 125.69 24.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.51 171.83 18.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.426 ' HA ' HG12 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -107.9 130.7 55.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.536 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.585 HG21 ' CG2' ' A' ' 25' ' ' ILE . 1.4 pt -120.6 168.93 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.74 145.3 56.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -58.68 -38.89 79.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -71.41 -39.3 71.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.406 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 1.8 m-20 -70.99 -28.42 64.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.487 ' O ' ' CD1' ' A' ' 52' ' ' ILE . . . -71.91 -30.03 64.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.497 ' NE2' HD21 ' A' ' 92' ' ' LEU . 3.9 tp60 -77.17 -42.91 35.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -29.78 68.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.709 ' HG ' HD13 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -58.24 -46.46 85.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.62 HG21 ' OD2' ' A' ' 87' ' ' ASP . 21.9 t -71.2 -47.62 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 78' ' ' GLN . 51.2 t -50.57 -35.88 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.99 -29.29 69.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 143.0 -13.04 2.37 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -56.51 156.61 5.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.561 ' O ' HG22 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -73.42 152.12 40.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.62 ' OD2' HG21 ' A' ' 81' ' ' VAL . 2.2 t0 -132.85 103.94 6.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -122.32 -10.34 8.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.482 ' HG2' HG22 ' A' ' 52' ' ' ILE . 1.4 ptt180 -64.73 -28.09 69.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -149.72 -176.09 5.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -70.89 -40.58 72.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.619 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.513 ' C ' HD13 ' A' ' 92' ' ' LEU . 2.0 tm? 52.12 97.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 6.9 mtm 62.33 86.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.82 79.0 1.38 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -60.19 -50.85 72.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.4 t0 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.241 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.512 0.196 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.5 p -98.69 130.99 45.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.814 HG12 HD12 ' A' ' 80' ' ' LEU . 0.5 OUTLIER -89.2 140.91 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.8 OUTLIER -130.42 163.35 27.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.624 HG23 HG21 ' A' ' 47' ' ' VAL . 16.7 mm -135.78 151.02 28.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.381 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -126.41 90.34 3.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.22 -35.31 66.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.988 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -49.35 -51.07 36.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -96.64 -22.58 16.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.336 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' ASP . . . 86.91 15.83 62.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.573 ' C ' HG23 ' A' ' 47' ' ' VAL . 3.2 t -99.98 164.38 2.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.608 ' HB3' HD11 ' A' ' 50' ' ' LEU . 7.2 p -105.04 143.8 32.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.263 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' GLU . 12.1 t -143.41 112.77 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.721 HG23 ' HA ' ' A' ' 25' ' ' ILE . 15.0 p -115.68 148.45 18.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.439 ' C ' ' CG1' ' A' ' 38' ' ' ILE . 0.4 OUTLIER -93.5 139.13 31.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -164.67 169.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 2.0 pt-20 -54.71 88.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ILE . . . 92.53 53.89 1.9 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' GLY . 7.8 p -39.45 127.75 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.787 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -169.46 47.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -117.68 178.58 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.658 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 169.43 129.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.915 ' HB1' ' HD2' ' A' ' 46' ' ' PRO . . . -174.93 -178.65 0.36 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.915 ' HD2' ' HB1' ' A' ' 45' ' ' ALA . 18.2 Cg_endo -75.0 144.3 30.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.524 1.802 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.624 HG21 HG23 ' A' ' 27' ' ' ILE . 2.9 t -79.2 -28.64 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -75.19 -2.74 29.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.449 ' CB ' ' HG2' ' A' ' 46' ' ' PRO . 3.2 t -118.47 40.22 3.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.608 HD11 ' HB3' ' A' ' 34' ' ' CYS . 39.5 mt -109.6 156.42 20.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -141.42 149.83 41.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.664 ' CD1' HG23 ' A' ' 81' ' ' VAL . 3.1 mt -112.92 144.68 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.479 ' C ' ' CG2' ' A' ' 62' ' ' VAL . . . -119.08 174.42 15.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.479 1.112 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.5 m -125.05 133.97 52.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 110.422 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.74 ' HB3' HD23 ' A' ' 60' ' ' LEU . 11.2 t0 -107.5 100.51 9.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.31 -12.86 46.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -58.91 -41.44 87.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.617 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -133.53 13.34 4.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 51.22 50.57 18.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.74 HD23 ' HB3' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -130.91 163.15 28.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.06 156.83 26.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.479 ' CG2' ' C ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -132.74 179.23 4.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.727 HD23 ' C ' ' A' ' 63' ' ' LEU . 3.1 tt -111.98 124.89 53.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.679 ' N ' HD23 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -119.13 110.94 17.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.534 HG23 ' HG2' ' A' ' 68' ' ' LYS . 3.1 tt -131.85 125.65 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 t70 68.75 9.45 7.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.29 29.64 16.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HG2' HG23 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -101.4 172.08 7.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.472 ' CZ ' HG21 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -137.6 120.63 16.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -143.21 169.97 16.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 71' ' ' HIS . 1.1 t60 -97.52 125.84 42.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.577 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.752 HD11 ' HB2' ' A' ' 77' ' ' ALA . 1.1 pt -128.61 170.04 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.25 149.73 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.039 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.04 -35.54 81.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.26 -37.06 63.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.442 ' HB3' ' CG1' ' A' ' 25' ' ' ILE . 1.8 m-20 -72.42 -28.34 62.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.752 ' HB2' HD11 ' A' ' 72' ' ' ILE . . . -71.19 -30.58 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -77.05 -43.59 33.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -68.13 -29.61 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.814 HD12 HG12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -55.12 -46.35 75.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.664 HG23 ' CD1' ' A' ' 52' ' ' ILE . 8.2 t -71.54 -47.93 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 43.7 t -50.93 -35.74 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.592 ' HB1' HG21 ' A' ' 27' ' ' ILE . . . -66.01 -27.67 68.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 81' ' ' VAL . . . 138.16 -9.34 3.56 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 80' ' ' LEU . . . -58.5 150.42 22.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.417 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 1.3 tp10 -70.29 150.84 45.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.536 ' CG ' HG21 ' A' ' 81' ' ' VAL . 2.6 t0 -123.18 112.99 18.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.113 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.417 ' NE2' ' HG3' ' A' ' 86' ' ' GLU . 47.7 mm-40 -123.06 -10.93 8.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.335 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -30.71 70.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -154.96 -170.36 3.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 110.254 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.448 ' CD2' ' O ' ' A' ' 91' ' ' HIS . 48.6 p-80 -103.68 61.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.626 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 95' ' ' ASP . 0.2 OUTLIER -42.69 -53.66 4.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.56 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 6.2 mmt 48.15 97.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 93' ' ' MET . . . 74.39 82.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.586 ' HA ' HD12 ' A' ' 92' ' ' LEU . 2.5 p-10 -53.81 130.79 38.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.983 . . . . . . . . 0 0 . 1 stop_ save_