data_1ujd_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 1ujd _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.79 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 33.4 m-85 . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.503 0.192 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.3 pt -78.47 -23.25 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.79 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 6.6 p90 -105.74 162.17 20.55 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 118.59 5.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -131.41 163.88 26.94 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.23 103.8 8.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.95 99.65 12.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.412 ' N ' HD11 ' A' ' 16' ' ' ILE . 4.1 mp -119.83 143.59 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -98.05 156.9 16.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mt -121.8 117.61 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.19 55.84 4.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 tt -129.01 127.63 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -124.41 129.75 51.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 mt -137.18 133.08 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 t -107.71 129.9 60.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.47 179.87 30.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.26 43.85 98.85 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -127.01 127.63 45.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.24 141.75 45.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.5 mt -94.95 137.94 22.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 100.87 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.764 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.92 -56.05 0.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.89 151.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.599 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.76 87.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.02 63.2 1.33 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -125.98 150.62 47.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.735 . . . . 0.0 110.311 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.6 pt -101.22 161.89 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.96 -162.81 14.3 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.83 138.27 53.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.441 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 38.3 p90 -135.42 151.62 50.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.8 mt -69.68 100.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.69 -58.43 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -161.17 175.18 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.04 138.14 55.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.44 164.54 18.89 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 98.7 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.92 58.65 10.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.6 -159.54 29.83 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.1 m -74.37 -39.41 62.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 0.793 . . . . 0.0 110.028 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.26 -48.65 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.51 -30.08 70.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.068 . . . . 0.0 110.254 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -44.93 36.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.25 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.3 p -57.71 -49.51 76.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.12 -34.86 5.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -65.72 -63.03 1.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 0.767 . . . . 0.0 109.351 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -44.5 131.22 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 3.5 ttt -137.34 152.27 49.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 69' ' ' MET . 1.6 mt-10 -67.26 145.41 55.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.03 23.59 61.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -101.67 134.64 44.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -79.24 118.86 21.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.8 t -88.43 111.78 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 104' ' ' CYS . 5.1 mt -66.34 -53.99 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -145.42 159.31 43.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.224 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.418 ' NE1' ' HA ' ' A' ' 94' ' ' ILE . 10.1 t-105 -134.71 123.75 24.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 107.984 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 56.35 29.87 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.01 -42.41 2.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.417 ' CG2' HD12 ' A' ' 93' ' ' ILE . 1.7 mp -65.5 125.86 90.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.51 36.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.8 mt -109.99 -18.21 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.592 1.182 . . . . 0.0 109.249 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 52.5 m -61.48 135.36 57.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m 71.37 42.31 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -132.02 -156.77 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 p -137.92 152.22 48.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -38.38 -58.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.368 1.042 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.89 -66.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -40.09 -59.13 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.403 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 87.5 t -50.2 -61.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.39 -58.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -47.53 -48.11 27.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.417 HD12 ' CG2' ' A' ' 80' ' ' ILE . 23.3 mt -56.78 -39.08 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -78.14 -61.87 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 91' ' ' GLN . 5.7 m -66.97 71.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.5 OUTLIER -179.05 70.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -169.6 109.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.8 m -89.25 83.51 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.13 -178.12 17.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.41 ' N ' ' CD ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -39.04 157.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.276 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.3 164.58 31.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.33 137.92 51.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.413 ' HB ' ' CE3' ' A' ' 77' ' ' TRP . 10.9 tt -127.97 145.4 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' LEU . 34.7 m -125.28 101.24 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -114.63 162.81 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 109.256 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.484 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 63.4 ttt180 -91.61 147.2 23.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.5 mt -73.07 -80.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 94.8 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.77 136.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -149.59 121.72 8.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.534 0.206 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.69 -10.92 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -119.0 162.43 31.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 111.059 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 119.83 5.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.509 1.794 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.78 165.43 27.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.574 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.04 149.24 46.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.407 1.067 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.06 84.88 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -104.6 153.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -113.44 160.29 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 4.6 mt -116.22 115.61 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 128.68 71.97 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 tt -154.06 132.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.364 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -121.71 112.89 18.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 mt -127.71 133.71 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.5 t -105.26 117.09 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.09 166.54 29.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.89 10.54 86.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -87.43 146.0 26.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.366 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.06 132.84 41.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 24.5 mt -88.83 140.59 29.43 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.04 -62.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.22 -68.86 0.66 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -44.76 167.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.726 . . . . 0.0 109.554 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.59 -49.17 10.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.14 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.85 91.49 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -158.97 148.07 18.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.3 pt -97.81 149.65 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.75 -168.73 23.05 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.451 1.095 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.94 151.16 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -151.54 143.55 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.449 HG21 ' CG1' ' A' ' 56' ' ' ILE . 67.9 mt -58.11 120.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.95 -52.22 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -141.65 140.46 33.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.449 ' CG1' HG21 ' A' ' 53' ' ' ILE . 3.2 mt -114.1 114.81 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mt -40.61 157.43 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 109.16 2.87 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.484 1.781 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.47 21.58 42.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.74 -159.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.471 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 74.4 m -77.27 -41.05 42.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.11 -34.74 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.89 -30.49 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.42 -51.35 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.9 p -46.51 -53.28 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.31 -32.37 5.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -10.87 57.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.498 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -97.19 164.0 12.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.438 ' CG ' ' O ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -172.31 154.29 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.43 157.9 30.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.77 -6.23 75.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.8 mmt -78.03 140.54 39.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -91.64 115.42 28.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.7 t -75.31 110.41 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.88 -57.87 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.228 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -137.3 155.94 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.505 ' CE2' ' HA ' ' A' ' 94' ' ' ILE . 6.0 t-105 -136.57 112.24 9.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 107.983 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 56.92 34.89 25.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.45 -46.17 2.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.098 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.461 ' CG2' HG21 ' A' ' 93' ' ' ILE . 2.7 mp -60.63 119.4 43.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 142.46 28.06 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.443 HD11 ' CG1' ' A' ' 90' ' ' VAL . 86.4 mt -98.71 -15.13 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' A' ' 84' ' ' SER . 23.4 m -69.15 127.35 32.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 110.396 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 83' ' ' THR . 0.2 OUTLIER 81.13 32.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -124.85 -174.82 3.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 57.1 p -121.67 156.45 33.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.343 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -39.11 -63.52 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.37 1.044 . . . . 0.0 111.028 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.76 -66.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -39.96 -71.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.546 1.154 . . . . 0.0 110.351 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.443 ' CG1' HD11 ' A' ' 82' ' ' LEU . 52.0 t -40.92 -63.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -46.29 -47.89 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -35.69 77.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.461 HG21 ' CG2' ' A' ' 80' ' ' ILE . 89.4 mt -72.48 -60.21 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.505 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 0.7 OUTLIER -57.26 -34.4 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 91' ' ' GLN . 41.6 m -83.31 179.71 7.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 43.66 60.49 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -126.86 133.48 50.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 t -102.78 142.18 34.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.72 171.18 2.57 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.441 1.088 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -40.6 160.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 0.731 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -138.99 151.14 46.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -107.16 136.4 47.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 tt -128.86 138.96 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 4.0 m -118.47 109.41 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.9 m -118.39 162.72 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.439 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 22.8 ttt180 -90.24 141.96 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.2 mt -71.25 -61.83 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.388 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -93.49 88.8 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.439 HD23 ' CZ ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -177.13 124.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.404 ' N ' HD11 ' A' ' 109' ' ' LEU . 34.4 m120 -133.19 141.22 47.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.589 0.233 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pp -59.32 -31.73 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -100.49 161.39 24.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 132.1 15.1 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.552 1.817 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.35 168.23 20.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.96 128.81 20.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -103.82 92.35 4.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.13 141.72 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -101.96 156.37 17.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 4.6 mt -127.33 119.43 52.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.462 ' HA ' ' CB ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 38.85 67.9 0.52 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.4 tt -155.02 140.95 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -114.98 104.95 12.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -113.47 116.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.426 HG22 ' CB ' ' A' ' 54' ' ' ALA . 55.9 t -93.81 122.83 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.31 173.64 24.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.45 30.37 77.4 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.499 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -103.19 138.14 40.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.17 138.69 58.43 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.481 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 13.1 mt -107.76 139.97 21.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.95 -72.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.544 1.813 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.14 -50.89 5.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.17 138.75 58.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 0.754 . . . . 0.0 109.6 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -64.13 85.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.02 74.11 0.17 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -139.45 138.51 36.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.8 pt -79.64 157.39 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.31 -152.06 7.25 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -137.13 148.82 46.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 0.801 . . . . 0.0 109.28 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.499 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 18.7 p90 -151.21 148.11 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 3.9 mt -61.34 107.41 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.426 ' CB ' HG22 ' A' ' 37' ' ' VAL . . . -79.26 -56.03 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -138.83 143.0 38.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.138 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mt -110.7 106.48 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -41.19 150.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.4 Cg_endo -75.03 137.77 22.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 37.22 52.96 1.67 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.58 -165.8 24.45 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.47 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 68.4 m -77.28 -33.63 55.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.062 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.4 -48.71 39.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.13 -27.26 67.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -48.96 66.13 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.418 1.074 . . . . 0.0 110.278 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.2 p -51.54 -45.09 62.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.382 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.2 11.59 85.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -109.11 -24.77 11.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.37 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.42 144.99 32.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.5 mmt -143.21 151.84 41.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.53 150.25 47.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.05 -35.66 3.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.145 . . . . 0.0 110.961 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.426 ' HB2' ' CD1' ' A' ' 53' ' ' ILE . 1.8 mmm -45.46 135.38 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.458 ' OE1' ' CG2' ' A' ' 42' ' ' ILE . 36.0 tt0 -91.18 114.53 27.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.71 109.63 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' CYS . 3.1 mt -65.18 -58.53 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -137.95 155.85 48.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.595 ' CE3' HG13 ' A' ' 103' ' ' ILE . 15.5 t-105 -127.14 121.89 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 108.076 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.576 ' N ' HD21 ' A' ' 78' ' ' ASN . 1.4 m-80 53.06 29.98 8.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.64 -37.76 3.32 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.2 mp -69.79 126.9 92.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.69 43.29 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.442 1.759 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.452 HD23 ' CG1' ' A' ' 90' ' ' VAL . 78.6 mt -118.17 -2.53 11.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.386 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.427 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.9 m -76.67 129.37 36.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 83' ' ' THR . 0.4 OUTLIER 80.49 35.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -130.31 -175.79 3.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.8 p -123.47 157.53 33.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -37.75 -58.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.375 1.047 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -50.86 -70.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLU . 2.4 mt-10 -38.85 -65.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.452 ' CG1' HD23 ' A' ' 82' ' ' LEU . 91.8 t -42.28 -59.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -41.85 -63.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -52.86 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mt -52.34 -43.34 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -74.74 -58.95 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -38.55 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -48.18 109.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.422 ' NE2' ' OD1' ' A' ' 78' ' ' ASN . 11.0 tp-100 -160.67 -79.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.86 67.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.77 176.95 14.62 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.462 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -41.85 156.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 110.338 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -153.61 158.49 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -102.92 169.75 8.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.595 HG13 ' CE3' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -145.97 152.33 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' LEU . 42.2 t -140.2 88.16 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.522 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -109.34 164.97 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.522 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 28.1 ttp180 -97.36 140.9 31.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 108' ' ' ASP . 48.6 mt -71.68 -99.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 107' ' ' LEU . 17.4 m-20 -43.67 166.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.425 ' CD2' ' NH2' ' A' ' 106' ' ' ARG . 9.6 tt 69.1 159.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.211 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -172.89 137.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.672 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 2.1 m-85 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.437 0.16 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 pp -68.43 -35.22 69.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.672 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 30.0 p90 -87.98 161.73 43.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.39 6.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -145.2 162.48 37.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.26 136.24 49.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.31 92.78 3.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 17' ' ' LYS . 4.3 mp -126.16 165.5 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.43 154.69 26.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 103' ' ' ILE . 8.3 mm -104.31 117.5 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.42 ' CA ' HD13 ' A' ' 57' ' ' LEU . . . -78.66 72.29 2.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.9 tt -131.91 132.07 61.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -114.68 105.39 13.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.0 mt -120.57 127.86 75.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -104.89 118.56 52.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.33 163.06 27.41 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.423 1.077 . . . . 0.0 111.062 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.71 51.63 24.23 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -123.2 141.85 51.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -65.83 133.97 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 15.3 mt -98.21 140.01 21.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.05 101.0 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.572 1.827 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.52 78.36 1.09 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -163.05 38.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.602 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.88 40.18 24.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.55 68.32 1.76 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -122.45 156.8 33.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 0.809 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 pt -103.82 160.03 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.33 -160.66 12.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.552 1.158 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.19 142.88 51.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.368 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -145.54 164.85 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -81.57 116.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.64 -52.24 12.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -148.14 147.38 29.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.451 ' N ' ' CD ' ' A' ' 55' ' ' LYS . 3.4 mt -109.63 112.8 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.42 HD13 ' CA ' ' A' ' 33' ' ' GLY . 7.4 mt -54.54 162.65 1.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 125.56 9.43 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.479 1.779 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 44.13 35.63 3.67 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.28 178.02 53.07 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 m -55.49 -33.13 63.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.771 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.19 -60.06 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.43 -27.14 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -38.93 69.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.2 p -63.12 -46.93 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.07 -39.79 3.08 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -12.78 60.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.783 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.452 ' CD1' HD12 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -90.46 152.83 20.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.96 170.77 19.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.177 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -77.51 157.85 30.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.41 22.22 65.34 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.408 1.068 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.8 mmm -93.43 126.77 38.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -81.58 116.37 21.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.2 t -86.71 111.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 104' ' ' CYS . 11.2 mt -63.22 -55.84 21.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.46 ' CG ' ' HA ' ' A' ' 81' ' ' PRO . 2.7 mt-10 -138.94 162.1 35.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.466 ' CE2' HG21 ' A' ' 94' ' ' ILE . 32.9 t-105 -139.04 119.08 13.39 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 60.11 29.67 19.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.92 -46.38 2.27 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.9 mp -64.47 124.48 86.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.0 109.37 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.46 ' HA ' ' CG ' ' A' ' 76' ' ' GLU . 18.7 Cg_endo -74.89 152.35 41.23 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.495 1.787 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.8 mt -114.81 9.98 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.239 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 84' ' ' SER . 30.8 m -84.8 122.14 28.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 83' ' ' THR . 3.0 t 84.25 33.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -123.14 -162.27 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.5 p -135.96 152.12 50.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.59 1.181 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -37.72 -57.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.75 -67.17 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.338 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -41.33 -64.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 93' ' ' ILE . 71.1 t -43.87 -57.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.516 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.33 -52.53 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.91 -40.64 80.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 90' ' ' VAL . 62.1 mt -62.44 -35.02 67.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -85.07 -66.03 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 91' ' ' GLN . 1.2 t -53.15 153.31 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.066 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 55.16 102.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.99 -163.32 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.33 73.57 0.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.941 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.5 -130.41 20.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -53.33 -179.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.73 149.35 1.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.13 136.24 33.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.467 HG22 ' CD1' ' A' ' 18' ' ' ILE . 6.7 tt -121.97 112.57 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' LEU . 36.9 m -100.3 103.05 14.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -118.94 163.89 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.503 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 71.0 ttt180 -90.58 156.33 18.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.6 -85.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -70.14 86.74 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.25 139.21 14.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.07 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -137.89 134.8 35.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 14.2 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.498 0.189 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.04 -25.45 27.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 30.5 p90 -96.6 161.66 25.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 125.37 9.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.397 1.735 . . . . 0.0 111.041 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.07 169.65 18.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.38 151.54 40.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 15' ' ' ARG . 28.3 mtm105 -122.72 90.38 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.6 mp -96.93 156.0 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -116.08 130.86 57.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.396 1.06 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mt -91.32 121.2 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.0 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.39 76.67 1.03 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 tt -151.0 137.75 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.7 109.9 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.5 mt -118.22 130.41 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.217 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.1 t -108.56 131.73 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.79 -171.19 25.46 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.89 36.13 49.69 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.508 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -114.02 137.94 51.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.34 142.36 58.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.453 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 22.3 mt -100.8 139.81 20.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.453 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.7 Cg_endo -74.92 -47.22 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.441 1.759 . . . . 0.0 111.034 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.81 -65.08 3.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -55.89 168.74 0.42 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 0.785 . . . . 0.0 109.576 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.4 m -109.44 121.24 44.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.973 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 39.69 65.89 0.82 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.03 139.5 23.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 110.228 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.9 pt -98.71 150.76 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.7 -155.32 7.39 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.44 156.24 43.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 20.4 p90 -160.62 147.06 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.7 mt -56.54 113.02 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.83 -55.27 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -136.91 139.73 41.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LEU . 2.2 mt -107.32 108.98 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.494 1.122 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ILE . 1.2 mm? -40.22 152.69 0.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.1 Cg_endo -75.12 132.69 15.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 36.8 44.46 0.94 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.31 -174.73 40.5 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m -64.54 -32.75 74.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 0.763 . . . . 0.0 110.045 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.08 -61.96 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.94 -23.25 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -56.1 26.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.4 p -42.92 -54.89 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.421 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.24 -38.81 2.98 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -35.81 81.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.406 HD13 ' CG2' ' A' ' 103' ' ' ILE . 1.1 mm? -69.58 145.32 52.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.76 154.7 24.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.15 157.15 23.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.95 12.76 83.74 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.4 mmt -95.34 119.72 34.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.601 0.824 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -71.19 116.37 11.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.4 t -80.36 109.83 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.71 -55.41 6.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -140.16 151.13 45.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.491 ' CE2' HG21 ' A' ' 94' ' ' ILE . 31.2 t-105 -128.46 114.22 16.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.452 ' ND2' ' CE2' ' A' ' 77' ' ' TRP . 2.4 m-80 56.36 30.25 16.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.93 -52.67 0.9 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.47 HG21 ' CD1' ' A' ' 93' ' ' ILE . 4.8 mp -59.39 126.51 82.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.78 42.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.593 1.838 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.5 mt -124.0 35.46 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -108.78 140.59 42.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.468 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.07 36.44 9.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.962 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -122.4 -157.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.374 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 82.2 p -138.96 163.19 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -45.55 -62.6 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.0 -63.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -44.67 -64.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.409 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 84.1 t -45.39 -61.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 95' ' ' SER . 15.6 tt0 -41.46 -62.87 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.3 t -40.45 -51.12 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.057 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.47 ' CD1' HG21 ' A' ' 80' ' ' ILE . 29.4 mt -54.81 -42.87 64.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.491 HG21 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -75.09 -63.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -54.4 -169.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 78.42 -60.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -70.52 147.34 49.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.312 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.99 101.94 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.919 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 147.66 -163.94 28.79 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.471 1.107 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -49.55 152.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.594 0.82 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -163.07 162.6 25.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.76 134.64 54.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.406 ' CG2' HD13 ' A' ' 68' ' ' LEU . 6.5 tt -121.91 132.94 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 52.1 m -114.5 114.02 25.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.271 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.42 174.72 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.614 1.196 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -113.81 121.97 45.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.7 mt -52.9 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -76.63 82.48 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.31 148.72 5.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.6 138.84 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.059 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.668 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 5.0 m-85 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.546 0.212 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.33 -10.15 13.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.668 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 8.4 p90 -115.87 163.22 21.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.96 5.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.563 1.822 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.519 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -136.08 174.79 10.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.97 150.42 29.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -123.33 95.1 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.405 HD13 ' N ' ' A' ' 16' ' ' ILE . 3.7 mp -116.16 119.93 63.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 133.03 34.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 2.4 mt -76.78 119.72 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 110.445 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.74 87.34 1.97 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 tt -156.39 135.88 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.581 0.812 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.38 110.55 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.7 mt -117.3 130.51 72.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.02 122.51 61.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.55 179.29 38.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.437 1.086 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.47 47.98 72.94 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.526 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -124.16 127.44 47.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 0.81 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.88 137.8 37.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.5 mt -94.29 117.32 67.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 65.41 6.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.33 -50.87 0.09 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.486 1.116 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -68.59 176.39 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 109.605 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.33 87.57 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.03 73.97 0.23 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -137.32 141.2 41.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.09 144.58 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.23 -142.18 3.56 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.42 143.6 39.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.239 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.526 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 23.7 p90 -143.17 148.14 36.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.1 mt -66.61 108.97 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.28 -55.76 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -137.19 147.95 46.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mt -115.83 106.88 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -39.93 145.11 0.48 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 60' ' ' GLY . 18.2 Cg_endo -75.04 147.4 33.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 37.56 31.89 0.09 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 58' ' ' PRO . . . -86.38 -171.07 47.54 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.461 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 22.5 m -78.57 -41.44 31.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 110.017 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.47 85.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -73.69 -28.93 62.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -51.89 67.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -40.02 -53.48 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.2 -36.89 3.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -68.16 -25.4 65.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.79 140.02 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.1 mtm -155.21 157.86 37.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.3 146.21 54.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.04 6.57 69.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.413 1.07 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.3 mmt -88.59 123.54 33.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -73.0 116.11 13.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.241 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 82.0 t -74.28 109.7 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.6 mt -77.43 -58.56 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.41 152.32 46.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.505 ' CE2' HG23 ' A' ' 94' ' ' ILE . 69.6 t-105 -131.46 117.08 18.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.564 ' N ' HD21 ' A' ' 78' ' ' ASN . 1.3 m-80 51.02 35.45 12.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.84 -45.33 2.33 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.408 HG23 ' CD1' ' A' ' 93' ' ' ILE . 3.4 mp -64.52 119.49 57.38 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.18 43.14 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.434 ' CD2' HG23 ' A' ' 93' ' ' ILE . 28.8 mt -121.19 39.61 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.2 m -105.15 128.03 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.393 1.058 . . . . 0.0 110.496 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 t 67.14 47.61 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -128.38 178.55 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.8 p -112.94 152.43 29.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -37.81 -57.55 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.183 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.84 -66.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -39.19 -66.7 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.227 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 93' ' ' ILE . 46.1 t -43.44 -58.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.2 OUTLIER -45.98 -40.66 10.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.2 t -64.86 -35.76 82.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.434 HG23 ' CD2' ' A' ' 82' ' ' LEU . 68.3 mt -67.7 -34.99 71.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.505 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -84.81 -61.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 91' ' ' GLN . 2.5 t -38.77 137.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.07 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 74.22 94.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -134.61 153.77 51.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 m -124.07 134.05 53.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 46.62 -142.43 5.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.409 1.068 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.36 179.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.242 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -161.84 162.1 29.26 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.229 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.57 137.72 46.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 tp -135.77 154.15 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 18.0 t -140.63 116.29 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.264 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.8 m -116.67 176.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.645 ' NH2' ' CZ ' ' A' ' 11' ' ' PHE . 27.7 ttm180 -118.58 114.51 22.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.361 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.4 mt -54.22 -68.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -41.07 -72.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.64 131.0 3.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.56 101.28 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.542 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 4.3 m-85 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.495 0.188 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -75.0 -26.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.542 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 23.5 p90 -99.89 161.25 24.95 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 127.72 10.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.493 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -145.53 172.63 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.615 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -154.0 152.63 30.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -117.93 83.91 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' A' ' 17' ' ' LYS . 2.9 mt -77.64 159.25 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -110.03 147.8 32.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 16.2 mm -104.99 117.16 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 110.357 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.2 mt . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 41.72 39.74 2.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.5 tt -131.45 136.53 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -109.35 107.59 17.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -121.79 122.09 65.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.408 HG13 ' CD2' ' A' ' 87' ' ' TYR . 24.2 t -99.66 127.89 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.0 -168.64 33.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.525 1.141 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.62 38.66 29.18 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -110.97 141.1 44.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.355 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.02 131.64 39.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.48 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 9.4 mt -92.95 140.21 23.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 128.07 11.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.07 -41.54 2.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 0.0 111.045 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.74 143.67 46.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 0.805 . . . . 0.0 109.596 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.69 93.48 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.27 68.92 0.79 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.56 145.89 39.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.2 pt -108.14 167.34 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.596 1.185 . . . . 0.0 109.227 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.62 -150.48 6.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -137.49 146.5 44.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -150.81 151.51 32.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.7 mt -66.34 117.51 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.38 -52.03 10.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 28.7 tptt -158.58 125.23 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.424 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 3.6 mt -74.62 97.92 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' ILE . 1.4 mp -40.5 152.68 0.23 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 60' ' ' GLY . 18.3 Cg_endo -74.96 150.46 38.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.553 1.817 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.45 30.48 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.434 1.084 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' PRO . . . -89.65 179.3 44.47 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.9 m -70.85 -26.0 63.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 0.809 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.99 -52.74 8.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -58.07 -20.08 36.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.593 1.183 . . . . 0.0 110.363 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.71 -58.6 7.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.076 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.4 p -39.35 -50.84 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.13 -32.11 5.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -74.38 -39.54 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.358 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.19 139.79 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mtt -137.86 133.15 33.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.958 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.413 ' HG3' ' CD1' ' A' ' 56' ' ' ILE . 4.7 mp0 -53.45 148.56 8.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.72 5.86 83.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.147 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.76 117.68 23.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -67.74 123.58 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.266 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.4 t -87.59 109.59 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.5 mt -72.38 -54.66 8.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -141.32 159.54 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.505 ' CD1' ' HA ' ' A' ' 94' ' ' ILE . 34.9 t-105 -134.37 104.14 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 66.27 29.63 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.13 -54.86 0.68 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 93' ' ' ILE . 3.4 mp -56.31 119.9 31.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 150.25 38.23 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.544 1.813 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.6 mt -114.07 34.01 4.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.4 m -107.92 126.13 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.431 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.55 42.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -126.95 -156.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.5 p -134.0 153.17 51.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 110.361 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.408 ' CD2' HG13 ' A' ' 37' ' ' VAL . 4.2 t80 -40.79 -52.38 3.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.394 1.059 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.66 -66.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.179 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -39.86 -60.95 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 91' ' ' GLN . 87.3 t -43.11 -64.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -37.55 -64.23 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.361 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.35 -54.43 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.459 ' CD1' HG22 ' A' ' 80' ' ' ILE . 33.4 mt -51.14 -41.42 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.364 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.505 ' HA ' ' CD1' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -76.84 -62.68 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -52.86 162.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.984 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 70.57 70.95 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.398 1.062 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -173.45 76.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -96.35 74.08 2.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 175.63 45.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 3.7 tt0 68.24 148.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -150.42 162.1 41.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.71 134.66 49.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.6 tt -121.03 128.82 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.248 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 50.3 t -107.98 103.07 12.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.6 m -114.97 159.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 12.4 ttp85 -95.58 135.97 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' ASP . 20.9 mt -67.72 -96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -48.46 175.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 110' ' ' ASN . 7.7 tt 59.48 156.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.242 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.413 ' N ' HD22 ' A' ' 109' ' ' LEU . 4.3 m-80 -154.41 163.87 39.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.713 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 2.4 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.533 0.206 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pt -85.77 -19.86 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.713 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 28.0 p90 -103.53 161.52 22.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.93 120.16 5.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -136.4 -173.05 3.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.49 125.81 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.453 1.096 . . . . 0.0 109.394 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -92.23 86.83 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.492 ' CD1' ' CB ' ' A' ' 67' ' ' LYS . 85.1 mt -85.95 147.34 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' N ' HG21 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -95.3 161.23 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.9 mm -119.69 115.72 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.467 ' CG2' ' HG2' ' A' ' 100' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.97 83.49 0.69 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 tt -144.94 132.58 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -117.27 105.19 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.239 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.3 mt -113.05 132.26 62.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.1 t -107.5 124.53 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.89 151.42 18.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.568 1.167 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.59 8.65 54.35 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -87.99 136.57 32.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -73.48 125.42 27.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.6 mt -77.71 135.42 64.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' CD ' ' HG2' ' A' ' 111' ' ' MET . 18.3 Cg_endo -75.0 66.53 6.02 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.0 79.59 0.3 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.22 43.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.657 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.11 58.91 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.072 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.27 67.86 1.01 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.461 1.1 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -128.84 141.49 51.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.4 pt -86.78 175.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 177.85 -159.37 25.11 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -125.56 148.41 48.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.783 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -152.18 148.74 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.8 mt -57.25 113.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.2 -54.16 4.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -134.72 144.46 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mt -119.73 107.36 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -40.96 151.05 0.28 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 99.63 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.58 45.25 90.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.51 -147.22 17.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.594 0.82 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 m -80.67 -36.4 32.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.55 -57.32 3.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -51.71 -25.18 6.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -58.84 6.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.9 p -41.58 -59.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.75 -52.25 0.65 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.558 1.161 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.492 ' CB ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.24 -29.83 64.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.576 0.81 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.89 126.52 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 2.0 ttp -151.62 152.4 32.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 69' ' ' MET . 1.4 mt-10 -55.33 150.85 10.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.75 -5.53 84.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.1 mmm -82.86 125.28 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.76 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -69.76 146.67 51.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 110.264 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.442 ' CG1' HD11 ' A' ' 82' ' ' LEU . 93.7 t -115.53 110.08 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.3 mt -81.73 -56.93 3.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -138.15 150.49 46.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.551 ' CZ3' ' HB ' ' A' ' 103' ' ' ILE . 16.2 t-105 -129.15 107.26 9.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.2 m-20 69.82 29.73 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.72 -47.05 1.57 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.46 HG23 ' CD1' ' A' ' 93' ' ' ILE . 4.5 mp -64.38 127.7 92.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.55 42.41 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.468 1.773 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.442 HD11 ' CG1' ' A' ' 74' ' ' VAL . 74.0 mt -120.65 33.09 5.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -109.29 140.33 43.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t 67.9 32.18 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.033 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -121.03 -164.35 1.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.4 p -131.87 156.66 45.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -38.63 -62.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -48.21 -69.62 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' VAL . 26.5 mt-10 -38.84 -67.38 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' GLU . 72.0 t -40.08 -63.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.7 OUTLIER -39.38 -62.11 0.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -54.32 3.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 80' ' ' ILE . 32.3 mt -50.48 -38.39 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -80.75 -61.5 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -37.33 -47.23 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -68.0 112.75 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.423 ' OE1' ' ND2' ' A' ' 78' ' ' ASN . 55.5 tp60 -179.08 148.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.3 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.84 80.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . 132.63 51.58 0.09 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.467 ' HG2' ' CG2' ' A' ' 19' ' ' THR . 3.3 mp0 60.27 145.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -135.2 166.54 22.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.1 mt-10 -109.75 136.08 49.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.551 ' HB ' ' CZ3' ' A' ' 77' ' ' TRP . 14.3 tt -118.97 131.04 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.8 t -106.96 115.03 29.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 108.287 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.6 m -113.17 159.93 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.433 ' NH2' ' CE2' ' A' ' 11' ' ' PHE . 34.9 ttm180 -110.24 104.75 13.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.7 mt -40.48 -71.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.35 -169.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 110' ' ' ASN . 0.4 OUTLIER 65.07 -83.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.17 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 109' ' ' LEU . 4.0 m120 61.59 143.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.404 ' HG2' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.616 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.471 0.177 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 pt -59.23 -36.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.616 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 4.6 p90 -92.33 161.66 32.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 138.54 23.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.22 169.06 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.616 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.05 108.4 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 98.09 9.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 mm -127.68 154.1 37.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -111.06 127.39 55.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.233 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -88.14 117.95 32.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.464 ' CA ' ' HG ' ' A' ' 57' ' ' LEU . . . 79.3 69.55 1.39 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.7 tt -151.74 128.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.06 117.49 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -119.93 129.92 74.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.5 121.5 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.69 -177.22 39.8 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.21 57.06 6.57 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.4 138.78 51.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 0.728 . . . . 0.0 109.355 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.54 133.52 55.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 18.2 mt -93.66 139.97 22.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.92 -63.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.54 1.811 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.61 -51.96 3.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -70.08 168.85 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.636 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -53.02 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.09 92.6 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -161.45 139.44 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.1 pt -96.8 139.46 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.96 -159.5 8.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.26 144.93 51.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 0.803 . . . . 0.0 109.37 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -146.86 151.99 37.97 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 0.0 111.058 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.6 mt -71.91 108.15 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.27 -55.58 31.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -157.17 175.53 13.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mt -115.26 152.17 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.464 ' HG ' ' CA ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -81.97 154.14 70.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 102.32 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.529 1.805 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.08 43.98 37.84 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.47 -173.93 35.43 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.9 m -71.05 -39.95 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 110.044 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.29 83.43 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -30.74 64.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -56.07 26.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.4 p -39.9 -59.88 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.22 -11.2 72.71 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.164 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 -28.07 21.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.32 157.42 34.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mtt -147.88 147.85 30.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.95 151.51 47.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.78 32.79 74.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.64 138.59 40.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -86.09 122.36 30.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.98 118.98 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.459 HD11 ' CE1' ' A' ' 11' ' ' PHE . 21.3 mt -74.32 -51.8 14.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -145.38 162.08 38.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.531 ' CE2' ' HA ' ' A' ' 94' ' ' ILE . 1.4 t-105 -135.62 115.54 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 58.1 30.19 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.69 -47.42 1.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -58.27 125.29 74.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.577 0.81 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.47 32.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.586 1.835 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.3 mt -115.46 24.75 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.6 m -103.15 138.5 39.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.9 t 66.83 30.52 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -114.48 -154.65 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 p -139.31 152.03 46.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.363 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -37.24 -60.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -48.04 -67.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' VAL . 17.6 mt-10 -38.51 -71.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' GLU . 59.9 t -39.51 -46.39 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -62.8 -50.96 68.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 t -57.63 -29.67 64.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.028 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.61 -59.92 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.531 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -58.74 -31.81 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 91' ' ' GLN . 30.9 t -66.75 151.79 46.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.011 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 66.01 -160.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 75.5 43.32 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.16 -171.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.74 -82.89 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 100' ' ' GLU . 0.7 OUTLIER -44.87 164.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.322 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.495 ' HB1' ' CZ2' ' A' ' 77' ' ' TRP . . . -173.54 162.41 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -113.05 136.54 52.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.3 tt -127.39 144.08 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 51.2 t -124.21 97.52 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 108.341 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.508 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -111.42 163.91 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.508 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 56.0 ttt180 -92.74 150.64 20.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.1 mt -75.4 -77.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.57 92.87 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.59 124.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -117.92 155.39 30.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.384 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.628 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 1.7 m-85 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.522 0.201 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.5 pt -69.52 -26.03 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.083 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.628 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 46.6 p90 -99.34 162.19 22.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.65 4.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.413 ' ND1' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -141.28 173.62 11.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.569 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.83 143.62 25.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -110.79 101.22 9.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.315 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 16' ' ' ILE . 3.9 mp -117.35 109.34 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.421 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -84.66 128.84 34.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mt -76.95 120.81 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.402 ' CG2' ' HG2' ' A' ' 100' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.25 84.06 0.51 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 tt -156.66 127.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.454 0.737 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.474 ' CG ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -110.82 112.78 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.8 mt -120.4 128.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.0 t -100.08 117.44 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.62 -171.96 45.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.553 1.158 . . . . 0.0 111.065 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.24 18.43 9.62 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.552 ' HG2' ' CE1' ' A' ' 52' ' ' TYR . 22.1 tptm -89.87 145.87 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.747 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' HG2' ' NE2' ' A' ' 45' ' ' HIS . 3.7 tt0 -75.1 127.76 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.608 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 13.7 mt -72.12 142.4 84.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.02 57.56 4.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.84 92.6 0.71 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.382 1.051 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -156.41 -179.42 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 109.59 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -106.84 54.11 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.84 72.56 0.99 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.084 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.487 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -137.59 -153.42 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 0.729 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.487 ' CG2' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -176.77 128.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.72 -169.27 12.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -119.52 148.91 42.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.552 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 28.5 p90 -141.56 155.98 45.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.0 mt -67.83 116.96 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.411 1.069 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.64 -53.51 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -154.03 136.8 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' LEU . 3.4 mt -78.18 90.55 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.474 HD21 ' CG ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -38.25 142.62 0.46 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.435 ' HD2' ' CD1' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -75.07 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.03 -62.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.05 5.39 8.9 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -82.47 -54.71 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.36 -16.81 19.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -79.55 -18.36 51.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' THR . 0.6 OUTLIER -75.95 -51.77 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' GLN . 38.6 p -37.7 -53.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.354 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.1 -40.19 3.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.27 -15.22 32.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -86.62 145.59 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.2 mtm -153.66 147.23 25.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.88 149.06 45.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.98 -9.87 70.59 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mmt -62.64 119.79 9.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 0.787 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.35 101.42 0.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' ALA . 99.5 t -72.31 110.74 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.357 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.505 HD12 ' CE2' ' A' ' 11' ' ' PHE . 9.8 mt -74.49 -54.38 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -140.35 159.77 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.515 ' CE2' HG23 ' A' ' 94' ' ' ILE . 30.5 t-105 -140.08 118.0 11.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 60.13 29.68 19.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.52 -42.96 2.38 Favored Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.415 HG21 ' CD1' ' A' ' 93' ' ' ILE . 5.2 mp -67.98 127.17 93.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.413 0.714 . . . . 0.0 109.215 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 156.67 42.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.8 mt -122.83 34.83 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -104.81 139.35 39.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.494 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.82 39.1 8.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.988 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -125.05 -172.31 2.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' TYR . 23.7 p -126.78 153.43 45.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.415 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' THR . 14.9 t80 -37.06 -54.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.063 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -54.12 -72.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.565 1.166 . . . . 0.0 110.342 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' GLU . 20.7 mt-10 -37.73 -65.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 93' ' ' ILE . 75.7 t -40.46 -60.77 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -45.32 -43.03 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -35.36 77.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 90' ' ' VAL . 59.6 mt -70.89 -36.97 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.515 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -81.92 -69.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.369 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 91' ' ' GLN . 80.5 p -40.92 158.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 72.72 66.24 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.35 167.33 16.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 98.6 p -156.95 99.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.81 -147.51 16.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.402 ' HG2' ' CG2' ' A' ' 19' ' ' THR . 0.2 OUTLIER -61.44 -175.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.35 122.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 142.34 38.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 tp -138.69 153.62 25.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 38.7 t -133.65 125.55 28.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 108.373 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.3 m -135.92 146.48 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -91.19 122.6 33.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.6 mt -46.34 -64.55 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.83 175.34 5.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 0.2 OUTLIER 63.89 137.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -154.65 131.12 10.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 8.0 mtt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.423 1.077 . . . . 0.0 110.944 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.753 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 7.0 m-85 . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 120.519 0.199 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pt -79.78 -14.3 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.753 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 35.9 p90 -111.66 161.79 23.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 117.68 4.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.27 167.94 20.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.595 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.75 139.26 23.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -106.85 100.5 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.3 mp -113.31 109.63 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.395 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 132.66 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 3.4 mt -78.53 120.45 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.81 100.58 0.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.599 1.187 . . . . 0.0 110.993 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.7 tt -148.89 138.52 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 0.767 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -113.26 105.6 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -112.11 117.98 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.225 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.421 HG22 ' CB ' ' A' ' 54' ' ' ALA . 32.4 t -90.1 133.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.33 173.01 20.97 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.96 42.89 94.54 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -120.99 134.71 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.05 131.91 50.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.2 mt -92.49 112.36 55.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 60.35 5.42 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.798 . . . . 0.0 110.943 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.5 -42.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.428 1.08 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.41 52.63 2.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 0.0 109.552 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.27 -79.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.975 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.33 55.15 0.2 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -109.87 148.33 31.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.2 pt -82.86 156.95 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.17 -167.16 28.42 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.559 1.162 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.84 145.76 45.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 0.822 . . . . 0.0 109.303 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -150.27 160.27 43.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.8 mt -66.14 119.24 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.421 ' CB ' HG22 ' A' ' 37' ' ' VAL . . . -96.58 -52.56 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 tptm -133.93 142.44 47.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.229 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mt -118.12 106.59 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.343 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mp -40.5 153.26 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.3 Cg_endo -75.06 140.35 25.19 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 37.57 50.18 1.84 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.28 -173.76 32.73 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.452 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 17.7 m -74.1 -36.73 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.27 -42.54 65.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.44 -20.64 63.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.04 -53.77 40.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.5 p -38.78 -44.71 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.08 -39.9 3.1 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -16.2 64.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.323 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.85 140.72 29.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.55 156.08 31.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.69 150.92 39.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.35 -23.92 19.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mmt -61.11 121.99 13.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -70.55 129.02 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' A' ' 103' ' ' ILE . 53.6 t -93.7 109.99 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.9 mt -71.42 -51.84 21.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.596 1.185 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -145.37 149.63 35.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.493 ' CE2' HG21 ' A' ' 94' ' ' ILE . 68.6 t-105 -122.56 133.18 54.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 108.019 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.522 ' OD1' ' CD1' ' A' ' 80' ' ' ILE . 17.1 p30 43.82 28.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 88.55 -34.45 3.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.522 ' CD1' ' OD1' ' A' ' 78' ' ' ASN . 13.8 mt -65.56 123.21 83.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.444 ' O ' ' NZ ' ' A' ' 85' ' ' LYS . 18.2 Cg_endo -74.97 98.69 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.435 HD11 ' C ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -82.85 5.71 20.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.4 m -77.96 145.85 35.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t 63.83 31.39 14.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -114.54 -153.94 0.53 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.7 p -131.3 149.94 52.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -39.8 -43.77 1.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.18 -67.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' VAL . 3.6 mt-10 -38.88 -66.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.427 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 74.3 t -39.7 -63.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.2 OUTLIER -42.02 -64.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.3 t -44.08 -43.9 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.427 ' HB ' ' O ' ' A' ' 90' ' ' VAL . 25.7 mt -62.38 -42.04 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.493 HG21 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -75.63 -67.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -60.56 83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.061 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 94' ' ' ILE . 2.5 tt0 -177.19 -47.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -57.17 172.79 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.97 149.41 17.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.04 -79.15 1.83 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.137 . . . . 0.0 111.001 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.85 149.94 42.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -140.38 145.36 36.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.48 152.29 20.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.451 HD13 ' CG1' ' A' ' 74' ' ' VAL . 4.2 tp -148.32 150.66 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.18 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.9 t -134.01 109.69 9.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.1 m -117.07 144.61 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.412 ' NH2' ' CD1' ' A' ' 11' ' ' PHE . 23.6 ttm180 -87.51 122.8 31.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 33.8 mt -47.77 -61.95 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -71.34 174.17 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 71.87 172.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 t30 174.28 119.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.705 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 4.9 m-85 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.426 0.155 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pt -78.5 -15.75 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.705 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 25.8 p90 -108.14 161.9 21.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.87 6.84 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -140.57 164.05 31.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -128.65 103.57 7.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -92.02 89.23 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.415 ' N ' HD11 ' A' ' 16' ' ' ILE . 3.8 mp -117.53 136.09 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HD3' ' CG2' ' A' ' 19' ' ' THR . 0.0 OUTLIER -87.43 137.28 32.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.3 mm -63.9 121.17 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.406 ' CG2' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.32 107.79 0.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.418 1.074 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 tt -155.03 127.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.37 106.05 16.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.3 mt -118.14 118.42 58.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.3 t -91.67 128.88 43.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.39 138.81 15.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.38 5.61 20.91 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 143.65 28.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.55 127.67 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.5 mt -71.75 116.73 51.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 60.13 5.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.41 -49.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.91 155.18 40.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 109.609 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 m -42.52 -40.77 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.12 85.04 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -139.65 142.23 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.8 pt -90.02 155.84 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.26 -126.85 0.93 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.43 1.082 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -153.61 146.94 24.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -146.38 147.62 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.1 mt -67.9 122.23 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.74 -51.27 6.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -153.75 145.78 23.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.38 1.05 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LEU . 3.6 mt -91.59 90.29 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -39.71 139.12 0.95 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 57' ' ' LEU . 18.3 Cg_endo -74.97 98.37 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.21 -60.52 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . 123.61 3.84 8.36 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.3 m -82.78 -54.61 4.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.036 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.04 -24.62 15.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.45 -21.06 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -74.61 -54.52 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 64' ' ' GLN . 77.7 p -37.44 -53.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.373 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.26 -40.88 3.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.064 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -57.21 -19.34 20.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 0.78 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -82.89 131.75 35.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.2 mmt -140.9 147.94 39.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 111.033 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -64.48 152.9 40.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.98 -2.25 70.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.7 mmm -72.51 125.57 27.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -72.86 104.72 4.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.32 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 51' ' ' ALA . 53.3 t -72.18 110.33 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.2 mt -77.48 -57.79 3.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -132.35 157.01 45.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.66 ' CE3' HG12 ' A' ' 103' ' ' ILE . 18.6 t-105 -145.91 113.78 6.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 107.96 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 m120 61.19 33.27 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.76 -47.44 3.21 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.436 1.085 . . . . 0.0 111.064 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.465 HG22 ' CD1' ' A' ' 93' ' ' ILE . 5.0 mp -66.09 121.81 78.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.02 42.87 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 38.5 mt -116.23 35.62 4.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -109.04 138.36 45.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 t 69.65 32.98 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -123.93 -158.64 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.1 p -143.25 162.55 35.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.461 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -38.85 -60.54 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.5 mt-10 -50.81 -71.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.228 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -38.79 -66.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.402 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 71.9 t -40.72 -61.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -41.5 -63.93 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -41.49 -51.78 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 80' ' ' ILE . 36.0 mt -52.84 -40.66 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -78.63 -63.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.5 OUTLIER -65.04 92.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 175.79 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -52.49 176.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -149.32 151.06 33.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.025 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.73 -176.91 0.97 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -39.42 135.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 0.721 . . . . 0.0 110.292 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -134.61 179.78 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.99 155.82 17.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.66 HG12 ' CE3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -140.22 154.22 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.0 t -150.34 98.51 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 108.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.9 m -121.51 161.11 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 108' ' ' ASP . 47.1 ttt85 -90.21 132.62 35.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.37 -61.5 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.425 ' O ' ' CD ' ' A' ' 106' ' ' ARG . 9.0 t70 -80.86 161.11 24.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.7 tt 70.55 127.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -139.22 143.13 37.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.744 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 29.5 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.465 0.174 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pt -84.66 -9.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.744 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 17.6 p90 -111.65 161.73 24.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 120.98 6.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.57 163.27 29.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.77 103.01 6.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.34 95.56 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 67' ' ' LYS . 47.0 mt -129.42 138.49 54.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -80.91 175.91 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.485 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 11.6 mt -130.94 124.68 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.345 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.66 58.12 1.07 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.3 tt -145.11 135.72 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -112.05 114.89 28.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.1 mt -121.01 130.56 74.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.2 t -116.58 132.47 66.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.222 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.86 -178.43 34.91 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.456 1.097 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.31 50.65 51.54 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.483 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -121.49 132.89 54.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 0.712 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.41 127.23 30.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 15.5 mt -86.36 140.7 34.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.0 -46.8 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.428 1.752 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.43 -69.24 1.33 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -43.9 164.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 0.736 . . . . 0.0 109.526 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -75.64 -43.7 46.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.55 83.96 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -152.76 149.95 28.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.3 pt -98.96 158.04 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.76 -159.27 9.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.63 141.74 50.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.483 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 8.0 p90 -150.82 162.12 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.3 mt -76.15 108.59 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.07 -55.47 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 14.6 tptt -155.53 132.65 10.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.437 1.085 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.437 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 4.1 mt -84.21 112.95 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 56' ' ' ILE . 8.2 mt -42.02 163.09 0.13 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 99.42 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.54 36.44 68.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.96 -155.13 1.62 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.485 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 18.8 m -79.71 -50.44 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.512 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . . . -55.49 -44.4 76.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.28 -30.66 70.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.44 -57.97 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 62' ' ' ALA . 77.2 p -42.01 -50.37 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.398 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.3 20.07 21.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -126.73 -44.04 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -61.43 138.28 58.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.39 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.08 175.05 9.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.33 166.38 22.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 42.05 45.47 4.98 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.4 mmm -102.45 114.85 29.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -59.73 108.87 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.584 1.177 . . . . 0.0 110.323 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.6 t -83.57 109.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.481 HD13 ' CE1' ' A' ' 11' ' ' PHE . 3.5 mt -74.56 -58.21 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -136.03 150.18 49.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.373 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.515 ' CE2' HG23 ' A' ' 94' ' ' ILE . 14.2 t-105 -130.02 125.01 34.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 53.79 30.47 11.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.226 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.76 -38.68 3.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 4.8 mp -69.63 125.39 91.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.99 140.08 25.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.436 ' C ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -123.89 21.87 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.8 m -87.51 144.57 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.0 t 60.79 29.64 19.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.056 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.433 ' HG3' ' C ' ' A' ' 82' ' ' LEU . 3.4 mttm -111.93 -172.31 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 p -115.24 154.14 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -37.46 -62.08 0.55 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -48.63 -66.44 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' VAL . 27.1 mt-10 -38.39 -72.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' GLU . 55.7 t -39.91 -61.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.27 -64.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.58 -51.66 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 90' ' ' VAL . 34.3 mt -53.95 -41.35 49.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.515 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -76.77 -63.47 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.578 1.174 . . . . 0.0 109.361 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -49.37 171.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' SER . 2.3 mt-30 74.24 -58.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -61.3 81.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 96' ' ' GLN . 49.7 m -78.96 166.46 22.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.919 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.75 -168.17 53.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.03 170.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 0.773 . . . . 0.0 110.348 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.02 156.84 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.362 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -95.02 150.63 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.462 ' CG2' HD12 ' A' ' 18' ' ' ILE . 3.5 tp -139.42 150.77 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 28.1 m -134.85 102.75 5.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 108.309 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.0 m -121.15 151.04 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -83.39 132.07 35.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.6 -58.67 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 2.6 m-20 -81.23 152.48 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.2 OUTLIER 87.36 137.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -146.38 146.76 30.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 8.1 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.477 0.18 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -18.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 18.9 p90 -106.18 161.79 21.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 122.46 7.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.01 174.15 10.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.39 131.58 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -95.35 88.75 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 17' ' ' LYS . 2.0 mp -92.43 162.36 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 13.0 pttp -112.55 177.95 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.491 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 14.1 mm -139.0 118.48 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.63 73.98 0.76 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.403 ' CD1' ' HB2' ' A' ' 62' ' ' ALA . 7.1 tt -139.03 131.55 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -112.85 104.79 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' A' ' 94' ' ' ILE . 22.3 mt -117.44 137.0 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.764 ' CG2' ' CD1' ' A' ' 52' ' ' TYR . 16.1 m -108.8 -170.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.366 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.429 ' O ' ' CA ' ' A' ' 87' ' ' TYR . . . -168.94 165.15 38.7 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.32 10.71 43.44 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -85.16 132.63 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.12 137.69 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 35.2 mt -89.48 140.78 28.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.93 80.87 2.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.58 1.831 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.82 82.33 1.63 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -161.95 47.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 0.784 . . . . 0.0 109.604 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.96 40.76 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.12 68.58 1.61 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -127.63 139.27 52.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 0.76 . . . . 0.0 110.23 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.8 pt -87.24 139.15 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.18 -164.64 10.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -121.61 137.48 54.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.347 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.764 ' CD1' ' CG2' ' A' ' 37' ' ' VAL . 2.9 p90 -143.98 141.41 30.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.46 HG13 ' CG2' ' A' ' 74' ' ' VAL . 28.5 mt -64.31 107.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.71 -56.49 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -157.36 148.49 21.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mt -101.91 114.82 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.68 148.52 0.54 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 106.78 2.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.4 58.08 13.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.04 -154.54 11.66 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -78.68 -39.57 36.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.033 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.403 ' HB2' ' CD1' ' A' ' 34' ' ' ILE . . . -66.93 -44.48 80.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -73.04 -22.25 60.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -48.54 81.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.9 p -47.63 -49.42 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.67 -47.39 1.08 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.429 1.081 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -58.75 7.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 0.817 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -41.31 131.95 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 mmt -137.82 159.52 41.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.07 156.04 40.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 111' ' ' MET . . . 62.52 32.6 83.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.7 mmm -105.89 121.1 43.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -70.12 113.74 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.46 ' CG2' HG13 ' A' ' 53' ' ' ILE . 12.8 t -82.35 110.26 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mt -65.23 -59.13 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -138.41 161.3 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.492 ' CZ3' ' HB ' ' A' ' 103' ' ' ILE . 37.4 t-105 -137.78 110.97 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 108.045 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 68.24 29.49 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.2 -44.26 2.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.448 HG21 ' CD1' ' A' ' 93' ' ' ILE . 3.8 mp -59.09 127.4 83.79 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.94 142.91 28.64 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.431 ' CD2' HG13 ' A' ' 90' ' ' VAL . 66.1 mt -105.99 -34.62 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.22 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 84' ' ' SER . 19.7 m -54.28 129.57 35.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 83' ' ' THR . 1.2 t 84.98 31.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -130.57 -177.37 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.1 p -110.1 142.54 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.348 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE2' ' HB ' ' A' ' 37' ' ' VAL . 28.3 t80 -38.09 -36.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.92 -66.69 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 90' ' ' VAL . 37.6 mt-10 -41.84 -58.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.431 HG13 ' CD2' ' A' ' 82' ' ' LEU . 73.1 t -39.89 -61.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -37.75 -63.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.94 -55.12 2.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.448 ' CD1' HG21 ' A' ' 80' ' ' ILE . 25.8 mt -50.69 -42.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -74.5 -57.27 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -68.49 63.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.983 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -179.41 77.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.347 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -139.66 163.17 33.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.08 68.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.94 109.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.442 1.089 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 5.5 tt0 74.73 149.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.332 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -154.43 162.33 41.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.246 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.69 134.94 48.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.492 ' HB ' ' CZ3' ' A' ' 77' ' ' TRP . 9.0 tt -120.21 152.59 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.1 t -136.06 110.88 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 108.343 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.47 179.9 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.256 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -119.87 115.16 23.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.4 mt -45.3 -66.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -74.09 88.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.95 147.72 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -154.81 130.99 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.353 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.439 ' CE ' ' HB3' ' A' ' 52' ' ' TYR . 1.2 mtt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.797 ' CD1' ' CZ ' ' A' ' 11' ' ' PHE . 26.9 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.454 0.169 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 pt -77.54 -20.26 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.797 ' CZ ' ' CD1' ' A' ' 9' ' ' TYR . 17.3 p90 -101.29 161.48 23.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.07 5.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.409 ' ND1' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -129.2 165.59 21.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 109.641 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.91 104.23 7.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 94.68 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' A' ' 17' ' ' LYS . 1.8 mp -109.48 162.61 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.475 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -108.98 171.14 7.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.5 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 4.9 mm -124.12 116.94 49.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.366 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.449 ' CA ' ' HB2' ' A' ' 57' ' ' LEU . . . 109.32 79.29 1.1 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.9 tt -154.89 134.84 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -119.29 106.12 12.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.5 mt -110.08 121.41 62.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.12 127.17 53.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.99 -165.54 35.53 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.91 47.32 4.1 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -121.58 136.04 54.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.43 147.82 30.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.4 mt -111.12 119.86 44.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 70.7 5.28 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.55 44.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.574 1.171 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -160.0 156.51 27.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.635 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 77.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.52 66.66 1.66 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.06 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.95 144.17 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.0 pt -101.15 159.62 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.44 -167.27 19.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.12 137.77 53.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -141.45 161.66 37.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -69.45 103.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.57 -57.35 4.05 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -140.69 145.07 36.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mt -110.43 106.23 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.449 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 2.9 mm? -40.4 150.87 0.26 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.46 36.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 40.67 29.73 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.42 -172.89 49.38 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 25.9 m -78.28 -54.8 5.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.995 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.414 ' O ' ' OG1' ' A' ' 65' ' ' THR . . . -57.16 -23.9 50.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -80.67 -17.97 49.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.246 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 65' ' ' THR . 1.9 pt20 -81.41 -44.98 16.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 64' ' ' GLN . 19.4 p -38.77 -40.0 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 110.364 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.23 -41.12 3.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -66.49 -64.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 0.782 . . . . 0.0 109.289 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.433 ' CD1' HD11 ' A' ' 103' ' ' ILE . 3.0 mm? -41.02 126.53 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.0 mmm -138.08 141.52 40.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.35 143.42 18.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.73 -29.17 8.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.145 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.4 mmm -52.88 139.59 26.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 0.789 . . . . 0.0 111.053 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -86.42 127.09 34.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -100.27 109.66 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.03 -53.94 15.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -135.72 167.06 21.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.521 ' CZ3' ' HB ' ' A' ' 103' ' ' ILE . 11.2 t-105 -145.6 124.0 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 54.8 33.26 19.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.37 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.29 -43.02 3.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.464 ' CG2' HD13 ' A' ' 93' ' ' ILE . 5.1 mp -67.78 123.33 86.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.412 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 18.3 Cg_endo -74.98 142.5 27.99 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.431 HD11 ' C ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -124.08 19.73 9.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.1 m -87.73 142.83 27.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.27 30.15 15.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.422 ' HG3' ' C ' ' A' ' 82' ' ' LEU . 2.7 mmtt -112.94 -160.68 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 p -123.71 150.81 43.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -39.46 -53.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -64.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' VAL . 48.0 mt-10 -41.92 -67.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 110.342 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.422 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 37.8 t -39.91 -58.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.379 1.049 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -46.68 -59.11 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -43.43 -42.93 4.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.464 HD13 ' CG2' ' A' ' 80' ' ' ILE . 30.0 mt -64.12 -40.83 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.506 HG21 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -77.77 -68.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.524 ' O ' ' C ' ' A' ' 96' ' ' GLN . 10.4 t 38.84 62.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.524 ' C ' ' O ' ' A' ' 95' ' ' SER . 1.5 pt20 28.48 63.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -40.37 115.56 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.265 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.2 143.08 19.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.54 -162.13 25.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 3.3 tt0 -54.82 148.97 12.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -148.62 119.02 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.33 135.87 39.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.521 ' HB ' ' CZ3' ' A' ' 77' ' ' TRP . 2.3 tt -121.73 137.7 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 81.4 m -116.49 106.65 13.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 108.274 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.496 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -122.34 163.23 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.496 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 67.6 ttt180 -98.04 149.16 22.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.4 mt -78.37 -69.91 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -66.39 -176.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.7 tt 71.35 -79.54 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 0.0 109.211 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' MET . 37.6 t-20 43.75 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.5 mtt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.74 ' CD1' ' CZ ' ' A' ' 11' ' ' PHE . 2.2 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.557 0.218 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 pt -56.83 -27.17 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.74 ' CZ ' ' CD1' ' A' ' 9' ' ' TYR . 4.5 p90 -111.31 160.94 27.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.63 5.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.47 169.47 17.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.628 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.62 135.69 30.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -107.92 91.44 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.418 ' CD1' ' HD3' ' A' ' 67' ' ' LYS . 2.4 mp -103.47 156.1 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -104.4 162.86 12.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.7 mt -129.28 123.16 57.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 99' ' ' GLY . 2.3 mm? . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.84 41.51 0.37 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.478 HD11 ' CB ' ' A' ' 62' ' ' ALA . 5.3 tt -135.96 131.13 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.408 0.71 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HG3' ' CD1' ' A' ' 57' ' ' LEU . 4.6 mtt180 -101.44 105.24 16.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.5 mt -108.4 120.25 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.732 ' CG2' ' CD1' ' A' ' 52' ' ' TYR . 4.5 m -73.93 -156.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.477 ' HA3' ' CG2' ' A' ' 90' ' ' VAL . . . 170.7 155.88 10.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.89 4.86 56.22 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.53 131.97 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -41.23 151.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.573 1.171 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 42.6 mt -113.09 140.28 24.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 137.76 22.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.46 -53.49 3.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -40.15 144.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.61 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -75.9 92.68 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.48 76.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -143.85 148.78 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.4 pt -106.5 144.66 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.065 . . . . 0.0 109.24 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.96 -157.49 7.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -129.85 137.32 50.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.732 ' CD1' ' CG2' ' A' ' 37' ' ' VAL . 14.2 p90 -132.28 142.81 49.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.401 ' CG2' ' HA ' ' A' ' 70' ' ' GLU . 65.3 mt -55.03 109.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.17 -55.92 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 15.4 tptt -164.77 129.43 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.43 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 3.6 mt -76.09 81.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.434 ' CD1' ' HG3' ' A' ' 35' ' ' ARG . 1.4 mp -40.18 152.81 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.06 -57.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . 113.86 3.94 23.1 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.72 -54.44 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.965 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.478 ' CB ' HD11 ' A' ' 34' ' ' ILE . . . -98.33 -29.48 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -66.14 -18.56 65.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.218 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 65' ' ' THR . 1.1 mt-30 -80.1 -54.23 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 64' ' ' GLN . 80.1 p -37.07 -48.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.52 -39.92 3.09 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.418 ' HD3' ' CD1' ' A' ' 16' ' ' ILE . 3.8 tttp -59.75 -19.04 47.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.224 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.2 mm? -90.86 121.96 33.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.375 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.8 mtp -138.52 136.27 35.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.401 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 15.9 mt-10 -46.68 157.42 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.09 -5.13 67.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.9 mmm -81.86 127.44 33.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 0.716 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -79.2 109.3 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 51' ' ' ALA . 3.5 t -71.45 120.79 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.7 mt -77.22 -54.08 6.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -143.0 157.95 44.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.383 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.567 ' CE3' HD13 ' A' ' 103' ' ' ILE . 69.2 t-105 -133.95 134.02 42.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.06 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.54 ' OD1' ' CD1' ' A' ' 80' ' ' ILE . 17.9 p30 43.62 28.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 89.24 -34.8 3.85 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.54 ' CD1' ' OD1' ' A' ' 78' ' ' ASN . 8.5 mt -68.73 127.15 93.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.06 37.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.461 ' CD2' HG23 ' A' ' 93' ' ' ILE . 13.6 mt -110.96 -25.14 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.1 m -62.69 144.83 55.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.367 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.2 t 70.37 29.72 3.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -131.12 -174.31 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.1 p -115.48 144.14 44.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.472 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.589 ' CE2' ' HB ' ' A' ' 37' ' ' VAL . 42.5 t80 -37.49 -54.77 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.45 -56.95 12.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.24 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.436 ' N ' ' CD ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -52.67 -58.97 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.225 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 37' ' ' VAL . 92.4 t -47.73 -52.03 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.185 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.48 -43.84 8.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -34.4 76.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.072 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' VAL . 66.6 mt -68.24 -33.96 63.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.563 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 0.4 OUTLIER -85.01 -56.29 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.35 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.22 57.03 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.059 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -178.28 81.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -136.14 -179.98 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -127.27 59.12 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.953 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.488 ' O ' ' CD1' ' A' ' 32' ' ' LEU . . . 98.01 -105.93 3.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.13 . . . . 0.0 111.048 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -176.05 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 0.742 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.439 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . . . -178.91 151.27 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -111.89 138.85 47.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.567 HD13 ' CE3' ' A' ' 77' ' ' TRP . 2.6 tt -124.76 150.77 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 77.2 m -134.61 88.88 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 108.286 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 m -103.43 156.37 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.405 ' NE ' ' O ' ' A' ' 108' ' ' ASP . 45.6 ttt180 -99.53 133.25 44.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.2 mt -57.79 -69.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -68.99 103.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.43 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 2.0 mt 168.16 158.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -174.97 107.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 111.042 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.615 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 9.9 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.572 0.225 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -57.46 -44.27 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.615 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 27.4 p90 -77.29 161.4 72.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.8 5.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.575 1.829 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.22 163.21 29.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.644 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.24 115.93 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 10.3 mtp-105 -104.21 85.83 2.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 16' ' ' ILE . 4.9 mp -124.19 123.88 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.08 134.65 35.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.24 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.534 ' CG2' ' HB2' ' A' ' 61' ' ' SER . 4.4 mt -73.59 118.02 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.9 70.25 0.59 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.04 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.416 ' CD1' HD13 ' A' ' 18' ' ' ILE . 8.9 tt -146.39 131.25 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -110.58 131.04 55.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.358 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -139.18 134.71 41.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.5 t -118.89 120.35 63.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.213 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.36 -179.61 46.69 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.67 49.54 77.43 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -128.27 130.09 47.36 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -58.14 139.33 55.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 mt -92.75 133.87 28.57 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 69.79 5.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.51 -73.41 0.15 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -39.88 150.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 0.739 . . . . 0.0 109.593 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 m -71.22 98.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.18 75.2 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -139.88 145.55 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.795 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.4 pt -100.5 151.4 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.12 -156.63 7.47 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.29 153.3 41.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -155.43 160.84 40.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.459 HD12 ' CB ' ' A' ' 72' ' ' MET . 5.7 mt -77.14 112.28 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.14 -53.65 54.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 6.0 tptm -170.98 125.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.482 ' CD1' ' HG ' ' A' ' 68' ' ' LEU . 3.4 mt -60.27 109.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -39.78 153.45 0.19 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.97 102.16 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.7 34.62 89.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.79 -147.42 18.91 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.534 ' HB2' ' CG2' ' A' ' 18' ' ' ILE . 40.9 p -81.02 -44.63 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.98 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.48 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -58.27 -43.24 87.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.71 -29.29 63.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -61.37 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.2 p -51.37 -33.07 28.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.32 27.13 39.08 Favored Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.28 -4.74 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 0.807 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.482 ' HG ' ' CD1' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -123.94 162.87 22.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.446 ' CG ' ' HG3' ' A' ' 72' ' ' MET . 2.8 ptt? -139.58 -179.63 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.08 163.28 26.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 111' ' ' MET . . . 57.78 21.28 43.3 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.569 1.168 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.459 ' CB ' HD12 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -84.82 95.26 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 111.031 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -42.38 110.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.9 t -81.27 110.2 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 104' ' ' CYS . 5.9 mt -71.24 -56.62 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -138.75 152.12 47.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.448 ' CE2' HG23 ' A' ' 94' ' ' ILE . 34.4 t-105 -132.53 109.5 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 108.034 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 61.67 30.25 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.2 -49.46 1.71 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.602 1.189 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.466 ' CG2' HD12 ' A' ' 93' ' ' ILE . 5.2 mp -60.38 125.99 83.32 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.31 42.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.3 mt -122.26 35.35 4.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.4 m -107.55 140.97 39.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.411 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.0 t 61.98 39.69 13.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.049 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -125.67 -169.98 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.3 p -128.87 165.46 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -43.9 -66.73 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLU . 1.3 mt-10 -44.8 -69.18 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 90' ' ' VAL . 11.2 mt-10 -38.14 -72.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.229 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' GLU . 61.1 t -40.04 -60.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 95' ' ' SER . 1.1 tt0 -40.8 -63.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.84 -53.6 2.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.466 HD12 ' CG2' ' A' ' 80' ' ' ILE . 35.6 mt -51.45 -43.78 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -74.63 -60.26 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -38.1 -43.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.26 110.58 15.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.99 179.96 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 m -173.08 118.71 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . 68.68 111.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.419 1.074 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 99' ' ' GLY . 17.9 pm0 44.39 -171.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.01 143.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.27 133.08 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.261 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.455 HG23 ' CD1' ' A' ' 18' ' ' ILE . 9.7 tt -133.0 123.32 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 75' ' ' LEU . 6.6 m -109.36 107.61 17.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.415 ' CG2' ' SD ' ' A' ' 72' ' ' MET . 21.1 m -114.54 172.95 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -115.4 117.66 31.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.5 mt -53.2 -58.13 8.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -53.63 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.93 132.19 5.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -151.48 89.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLY . 5.1 mtt . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.756 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.522 0.201 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.58 -16.86 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.756 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 10.8 p90 -109.39 162.6 19.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 120.47 6.09 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -137.21 173.5 11.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.625 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.25 135.87 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.41 ' NH1' ' OE2' ' A' ' 102' ' ' GLU . 5.9 mtp-105 -109.04 87.77 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mm -98.74 131.47 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.95 159.78 16.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.384 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mt -128.52 120.97 54.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.586 1.179 . . . . 0.0 109.373 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.435 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.17 81.61 0.1 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.492 1.12 . . . . 0.0 110.934 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.1 tt -154.18 129.13 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 115.35 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 37' ' ' VAL . 88.9 mt -117.75 138.67 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.403 ' N ' HG22 ' A' ' 36' ' ' ILE . 35.1 t -118.16 118.71 59.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.97 -163.8 39.28 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.442 1.089 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.13 51.21 2.77 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.556 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -124.48 129.59 50.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.71 134.47 51.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.2 mt -98.04 128.69 32.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.87 11.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.792 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.51 -34.8 4.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.55 142.47 30.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.559 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.2 -38.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.98 80.18 0.04 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -129.52 140.32 51.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 0.806 . . . . 0.0 110.251 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.2 pt -91.36 149.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.361 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.16 -155.42 7.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.944 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.27 146.89 47.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.556 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 28.5 p90 -146.92 162.66 38.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.3 mt -78.04 102.97 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.68 -57.84 9.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.255 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -157.13 137.68 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.39 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.601 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 79.2 mt -92.16 130.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.91 150.11 30.22 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 129.95 12.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.1 40.38 95.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.63 172.6 20.33 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.84 -35.31 74.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 0.8 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.03 87.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.98 -30.72 44.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -63.97 -44.39 92.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.355 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 64.6 p -39.75 -36.95 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.52 25.54 63.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.75 -43.87 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.613 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -67.61 164.72 18.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.545 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 11.9 mtt -152.56 118.1 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -40.82 149.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.54 11.96 84.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.45 108.14 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -50.2 121.15 5.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.421 HG23 ' CD1' ' A' ' 103' ' ' ILE . 99.5 t -85.12 109.63 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 104' ' ' CYS . 2.7 mt -70.69 -55.62 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -137.08 164.77 27.63 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.48 1.112 . . . . 0.0 110.348 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 101' ' ' ALA . 6.9 t-105 -145.27 109.11 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 58.3 32.88 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.37 -56.05 1.06 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.465 HG21 ' CD1' ' A' ' 93' ' ' ILE . 5.0 mp -57.54 124.12 65.95 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.434 0.726 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 149.62 36.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.45 ' CD2' HG21 ' A' ' 93' ' ' ILE . 40.9 mt -111.84 31.7 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.7 m -110.59 140.14 45.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p 69.15 30.77 4.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -122.94 -176.95 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.8 p -121.77 156.91 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -37.66 -61.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLU . 5.5 mt-10 -49.56 -69.32 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' GLU . 48.7 mt-10 -38.84 -64.01 0.48 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.433 1.083 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 93' ' ' ILE . 62.7 t -46.57 -58.25 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 95' ' ' SER . 4.3 tt0 -41.89 -41.0 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -41.26 93.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.979 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 90' ' ' VAL . 62.5 mt -63.44 -35.96 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.431 ' HA ' ' NE1' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -81.54 -59.96 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 91' ' ' GLN . 4.6 t -39.64 153.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 77.41 -170.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 71.73 63.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.229 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.8 p -81.65 74.23 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.052 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 100' ' ' GLU . . . 176.5 41.7 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.519 1.137 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 0.1 OUTLIER 89.34 168.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.254 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . . . -160.72 161.24 32.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' OE2' ' NH1' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -121.75 139.63 53.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.421 ' CD1' HG23 ' A' ' 74' ' ' VAL . 11.2 tt -128.52 130.9 69.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' LEU . 43.6 m -113.98 103.98 11.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 108.28 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.5 m -109.01 179.79 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.448 ' NH2' ' CE2' ' A' ' 11' ' ' PHE . 22.6 ttm180 -120.53 109.2 14.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.1 mt -47.67 -60.68 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.58 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.57 172.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 110' ' ' ASN . 1.1 p30 -179.54 38.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 110' ' ' ASN . 6.1 mmt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.703 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 17.4 m-85 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.497 0.189 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.9 pt -74.66 -27.75 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.703 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 8.2 p90 -91.69 161.63 33.5 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.457 1.098 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.55 6.64 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.4 171.59 14.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.61 110.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -85.86 123.63 31.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mp -120.18 157.48 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.38 135.27 51.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.8 mm -88.19 114.82 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' CA ' ' HG ' ' A' ' 57' ' ' LEU . . . -140.41 90.59 0.19 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.5 tt -154.2 132.41 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.471 0.748 . . . . 0.0 109.352 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -108.47 106.9 17.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.2 mt -113.32 130.01 68.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 55.7 t -105.91 114.15 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.27 -172.37 46.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.38 25.21 8.13 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -99.6 134.66 42.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG2' ' NE2' ' A' ' 45' ' ' HIS . 9.3 tt0 -57.23 125.65 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.611 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 43.3 mt -73.05 141.9 81.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.06 59.12 5.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.23 93.83 0.73 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.611 ' CD2' ' O ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -160.14 -179.51 7.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 109.633 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.23 54.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.32 72.09 1.05 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.155 . . . . 0.0 110.954 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 2.8 tp10 -139.37 -152.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 110.235 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.455 ' CG2' ' O ' ' A' ' 48' ' ' GLU . 1.6 pt -171.71 135.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.39 -171.44 12.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.4 154.12 32.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 0.721 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE1' ' HB ' ' A' ' 37' ' ' VAL . 19.3 p90 -146.15 155.03 42.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.7 mt -72.34 95.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.078 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.46 -59.53 4.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 9.5 tptm -156.36 127.69 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.633 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 13.6 mt -80.12 135.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' HG ' ' CA ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -53.73 157.16 4.11 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 112.97 3.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.417 1.746 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.98 50.67 63.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.81 -163.21 26.93 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.5 m -74.84 -48.85 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.963 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.402 ' O ' ' OG1' ' A' ' 65' ' ' THR . . . -59.08 -30.45 68.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -79.76 -29.58 40.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' THR . 1.9 mt-30 -64.63 -45.54 86.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' GLN . 68.8 p -38.01 -53.6 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.04 16.44 80.68 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.22 -41.35 2.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 0.789 . . . . 0.0 109.293 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.633 ' CD1' ' CD1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -63.93 167.32 6.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.546 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 44.6 mtt -157.18 126.01 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 111.065 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -46.76 149.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.25 2.25 90.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.04 113.32 20.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -59.77 106.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.9 t -72.48 109.58 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.6 mt -65.97 -59.27 3.99 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -138.41 164.83 28.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.522 ' CG ' HG21 ' A' ' 94' ' ' ILE . 5.1 t-105 -143.56 114.57 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.021 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 64.08 29.5 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.89 -49.85 1.76 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.6 mp -62.03 122.57 73.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.747 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 143.78 29.46 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.452 1.764 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.3 mt -105.29 26.72 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.9 m -99.18 132.75 44.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.441 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t 69.85 30.52 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.013 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -113.04 -174.45 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' TYR . 48.3 p -119.5 152.13 37.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' THR . 11.9 t80 -37.24 -57.29 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -52.89 -67.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 90' ' ' VAL . 67.0 mt-10 -38.84 -70.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 89' ' ' GLU . 46.4 t -38.81 -59.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.506 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -52.6 -46.26 66.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -37.49 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.81 -60.19 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.522 HG21 ' CG ' ' A' ' 77' ' ' TRP . 1.3 pt -57.01 -43.46 81.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 91' ' ' GLN . 71.8 m -69.04 -176.93 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.954 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 41.13 91.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.235 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -151.58 140.07 20.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -46.92 -60.82 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.028 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.72 -133.14 1.48 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.432 1.083 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.98 145.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.82 154.99 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.32 132.84 43.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.7 tt -124.38 131.0 73.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 15.6 t -106.02 112.99 26.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.265 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 m -111.29 158.91 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 107' ' ' LEU . 42.7 ttt180 -109.81 111.12 22.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 106' ' ' ARG . 10.6 mt -39.97 -59.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 1.6 t0 -82.37 156.36 24.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.488 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.3 OUTLIER 87.33 119.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -139.05 136.96 35.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 111.006 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.751 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.543 0.211 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pp -67.69 -15.6 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.751 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 31.4 p90 -108.59 162.27 20.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 120.78 6.2 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.484 1.781 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.554 ' CE1' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -137.44 172.87 12.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.604 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.25 132.96 18.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.554 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 73.4 mtm180 -105.46 93.94 4.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.344 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.414 HD11 ' N ' ' A' ' 16' ' ' ILE . 3.1 mp -109.33 124.43 66.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -89.45 124.72 34.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.521 ' CG2' ' CB ' ' A' ' 61' ' ' SER . 3.5 mt -83.47 121.64 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 46.09 64.92 2.26 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.405 HD11 ' CB ' ' A' ' 62' ' ' ALA . 3.7 tt -129.9 135.23 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.29 108.93 17.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.2 mt -112.84 118.45 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.2 t -91.53 116.92 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.22 -178.14 40.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.404 1.065 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.91 48.94 36.9 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.16 138.03 53.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.51 138.25 57.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.1 mt -108.76 124.16 35.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 78.02 2.98 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.42 1.747 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.25 70.73 0.17 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.86 42.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.592 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.94 61.93 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.11 68.66 0.4 Allowed Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -116.31 144.35 44.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 0.818 . . . . 0.0 110.304 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 pt -99.17 140.33 18.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.94 -145.1 4.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.61 162.93 31.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.241 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.475 ' CB ' ' HA ' ' A' ' 73' ' ' GLN . 21.8 p90 -166.9 144.06 4.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.481 ' CG2' ' CG1' ' A' ' 56' ' ' ILE . 96.1 mt -55.95 127.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.55 -51.22 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 141.56 51.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.481 ' CG1' ' CG2' ' A' ' 53' ' ' ILE . 3.2 mt -133.6 80.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.34 154.93 2.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.05 145.28 31.07 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.92 -36.0 3.64 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.74 144.2 0.19 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.521 ' CB ' ' CG2' ' A' ' 18' ' ' ILE . 58.2 m -57.82 -24.91 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 0.0 110.081 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.405 ' CB ' HD11 ' A' ' 34' ' ' ILE . . . -70.26 -55.78 8.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -65.54 -30.06 70.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -58.77 4.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.3 p -47.88 -40.36 21.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.61 55.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -117.6 -41.81 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 0.809 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.459 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.1 mm? -68.22 157.21 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 68' ' ' LEU . 20.6 mtm -161.16 143.44 12.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.9 150.33 3.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.99 -2.72 87.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -83.65 121.06 26.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.475 ' HA ' ' CB ' ' A' ' 52' ' ' TYR . 23.3 tt0 -76.34 126.26 30.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.1 t -86.85 109.38 19.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 104' ' ' CYS . 5.9 mt -75.12 -59.39 2.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -130.69 151.99 50.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.402 ' NE1' ' HA ' ' A' ' 94' ' ' ILE . 15.9 t-105 -138.52 107.96 6.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 62.03 30.65 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.24 -52.79 1.21 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.466 1.104 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.471 HG22 ' CD1' ' A' ' 93' ' ' ILE . 4.3 mp -57.72 122.87 59.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.37 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 145.4 31.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.412 ' CD2' HG22 ' A' ' 93' ' ' ILE . 33.0 mt -109.26 28.32 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -104.06 139.31 39.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.365 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t 67.45 37.16 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.985 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -126.81 -170.64 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.2 p -128.54 161.21 30.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.17 . . . . 0.0 110.356 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -42.56 -52.26 4.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.07 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.58 -70.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.223 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 90' ' ' VAL . 5.1 mt-10 -39.92 -64.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.248 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.403 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 45.4 t -40.59 -61.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 95' ' ' SER . 1.4 tt0 -39.16 -59.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.11 -50.65 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 80' ' ' ILE . 38.7 mt -54.35 -39.9 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.402 ' HA ' ' NE1' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -77.97 -63.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.24 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -49.31 154.82 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 69.88 102.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -165.17 162.98 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -72.49 -58.54 3.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -168.62 -85.63 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.78 169.05 6.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.428 0.722 . . . . 0.0 110.292 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.02 155.33 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.14 138.87 37.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.1 tt -129.99 122.58 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 75' ' ' LEU . 3.3 m -104.5 110.35 22.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 108.363 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 28.3 m -105.34 -169.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.532 ' CZ ' ' CB ' ' A' ' 109' ' ' LEU . 1.2 ttp180 -140.94 114.89 9.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.494 ' O ' ' O ' ' A' ' 108' ' ' ASP . 5.4 mt -58.61 -69.76 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 107' ' ' LEU . 34.3 t70 -42.38 169.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.532 ' CB ' ' CZ ' ' A' ' 106' ' ' ARG . 0.2 OUTLIER 77.54 -167.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 171.94 93.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 1.9 mmm . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.65 -57.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 0.744 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -107.56 161.53 14.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.15 -90.45 0.3 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -76.17 104.76 6.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 109.976 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.8 133.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.43 66.78 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.446 ' CG ' ' N ' ' A' ' 9' ' ' TYR . 40.3 t60 -106.12 168.19 9.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 109.61 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.79 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 33.4 m-85 -112.56 170.75 7.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 111.068 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.3 pt -78.47 -23.25 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.79 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 6.6 p90 -105.74 162.17 20.55 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 118.59 5.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -131.41 163.88 26.94 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.23 103.8 8.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.95 99.65 12.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.412 ' N ' HD11 ' A' ' 16' ' ' ILE . 4.1 mp -119.83 143.59 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -98.05 156.9 16.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mt -121.8 117.61 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.0 147.58 26.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -87.4 140.0 29.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.69 126.21 49.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 m -84.95 103.71 14.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 67.45 146.87 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.365 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -172.64 -61.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.399 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -175.47 64.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.676 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -160.54 165.15 31.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.8 p -155.21 56.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.3 t -150.04 -57.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.057 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.45 104.38 2.7 Favored Glycine 0 CA--C 1.532 1.121 0 O-C-N 124.42 1.075 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -119.94 163.89 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 0.818 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.61 66.84 0.82 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.1 mt 66.78 151.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.19 55.84 4.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 tt -129.01 127.63 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -124.41 129.75 51.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 mt -137.18 133.08 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 t -107.71 129.9 60.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.47 179.87 30.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.26 43.85 98.85 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -127.01 127.63 45.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.24 141.75 45.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.5 mt -94.95 137.94 22.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 100.87 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.764 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.92 -56.05 0.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.89 151.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.599 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.76 87.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.02 63.2 1.33 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -125.98 150.62 47.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.735 . . . . 0.0 110.311 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.6 pt -101.22 161.89 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.96 -162.81 14.3 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.83 138.27 53.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.441 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 38.3 p90 -135.42 151.62 50.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 29.8 mt -69.68 100.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.69 -58.43 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -161.17 175.18 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.04 138.14 55.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.44 164.54 18.89 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 98.7 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.92 58.65 10.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.6 -159.54 29.83 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.1 m -74.37 -39.41 62.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 0.793 . . . . 0.0 110.028 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.26 -48.65 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.51 -30.08 70.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.068 . . . . 0.0 110.254 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -44.93 36.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.25 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.3 p -57.71 -49.51 76.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.12 -34.86 5.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -65.72 -63.03 1.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 0.767 . . . . 0.0 109.351 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -44.5 131.22 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 3.5 ttt -137.34 152.27 49.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 69' ' ' MET . 1.6 mt-10 -67.26 145.41 55.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.03 23.59 61.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -101.67 134.64 44.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -79.24 118.86 21.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.8 t -88.43 111.78 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 104' ' ' CYS . 5.1 mt -66.34 -53.99 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -145.42 159.31 43.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.224 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.418 ' NE1' ' HA ' ' A' ' 94' ' ' ILE . 10.1 t-105 -134.71 123.75 24.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 107.984 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 56.35 29.87 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.01 -42.41 2.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.417 ' CG2' HD12 ' A' ' 93' ' ' ILE . 1.7 mp -65.5 125.86 90.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.51 36.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.8 mt -109.99 -18.21 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.592 1.182 . . . . 0.0 109.249 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 52.5 m -61.48 135.36 57.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m 71.37 42.31 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -132.02 -156.77 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 p -137.92 152.22 48.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -38.38 -58.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.368 1.042 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.89 -66.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -40.09 -59.13 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.403 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 87.5 t -50.2 -61.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.39 -58.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -47.53 -48.11 27.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.417 HD12 ' CG2' ' A' ' 80' ' ' ILE . 23.3 mt -56.78 -39.08 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -78.14 -61.87 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 91' ' ' GLN . 5.7 m -66.97 71.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.5 OUTLIER -179.05 70.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -169.6 109.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.8 m -89.25 83.51 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.13 -178.12 17.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.41 ' N ' ' CD ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -39.04 157.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.276 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.3 164.58 31.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.33 137.92 51.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.413 ' HB ' ' CE3' ' A' ' 77' ' ' TRP . 10.9 tt -127.97 145.4 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' LEU . 34.7 m -125.28 101.24 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -114.63 162.81 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 109.256 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.484 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 63.4 ttt180 -91.61 147.2 23.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.5 mt -73.07 -80.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 94.8 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.77 136.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -149.59 121.72 8.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 7.4 mtt -93.33 -56.31 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.26 88.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.48 157.83 18.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 66.39 5.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.067 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.4 t -97.83 115.52 28.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.66 -59.99 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.85 161.88 29.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.05 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t 67.64 93.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.933 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.57 115.26 0.4 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.442 1.089 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -176.11 112.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.767 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.76 116.16 20.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.7 130.73 12.17 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.08 124.02 43.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.401 0.706 . . . . 0.0 109.574 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.11 -179.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.631 1.207 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.69 -10.92 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -119.0 162.43 31.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 111.059 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 119.83 5.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.509 1.794 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.78 165.43 27.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.574 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.04 149.24 46.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.407 1.067 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.06 84.88 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -104.6 153.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -113.44 160.29 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 4.6 mt -116.22 115.61 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.06 135.38 34.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.418 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.64 98.02 3.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' LYS . 52.8 t0 50.38 67.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER 68.06 -69.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.034 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 22' ' ' SER . 7.1 mttt 168.82 78.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER 174.02 137.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 168.16 156.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.674 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 m -158.36 131.19 7.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 110.421 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.2 t 62.15 122.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 m 63.61 125.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.83 78.65 0.05 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.29 108.24 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.41 ' O ' ' N ' ' A' ' 33' ' ' GLY . . . 167.93 -63.47 0.2 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 mt 68.11 -69.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.767 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' GLY . . . 128.68 71.97 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 tt -154.06 132.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.364 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -121.71 112.89 18.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.7 mt -127.71 133.71 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.5 t -105.26 117.09 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.09 166.54 29.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.89 10.54 86.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -87.43 146.0 26.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.366 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.06 132.84 41.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 24.5 mt -88.83 140.59 29.43 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.04 -62.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.22 -68.86 0.66 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -44.76 167.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.726 . . . . 0.0 109.554 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.59 -49.17 10.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.14 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.85 91.49 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -158.97 148.07 18.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.3 pt -97.81 149.65 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.75 -168.73 23.05 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.451 1.095 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.94 151.16 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -151.54 143.55 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.449 HG21 ' CG1' ' A' ' 56' ' ' ILE . 67.9 mt -58.11 120.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.95 -52.22 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -141.65 140.46 33.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.449 ' CG1' HG21 ' A' ' 53' ' ' ILE . 3.2 mt -114.1 114.81 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mt -40.61 157.43 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 109.16 2.87 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.484 1.781 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.47 21.58 42.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.74 -159.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.471 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 74.4 m -77.27 -41.05 42.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.11 -34.74 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.89 -30.49 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.42 -51.35 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.9 p -46.51 -53.28 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.31 -32.37 5.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -10.87 57.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -97.19 164.0 12.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.438 ' CG ' ' O ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -172.31 154.29 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.43 157.9 30.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.77 -6.23 75.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.8 mmt -78.03 140.54 39.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -91.64 115.42 28.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.7 t -75.31 110.41 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.88 -57.87 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.228 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -137.3 155.94 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.505 ' CE2' ' HA ' ' A' ' 94' ' ' ILE . 6.0 t-105 -136.57 112.24 9.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 107.983 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 56.92 34.89 25.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.45 -46.17 2.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.098 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.461 ' CG2' HG21 ' A' ' 93' ' ' ILE . 2.7 mp -60.63 119.4 43.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 142.46 28.06 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.443 HD11 ' CG1' ' A' ' 90' ' ' VAL . 86.4 mt -98.71 -15.13 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' A' ' 84' ' ' SER . 23.4 m -69.15 127.35 32.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 110.396 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 83' ' ' THR . 0.2 OUTLIER 81.13 32.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -124.85 -174.82 3.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 57.1 p -121.67 156.45 33.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.343 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -39.11 -63.52 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.37 1.044 . . . . 0.0 111.028 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.76 -66.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -39.96 -71.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.546 1.154 . . . . 0.0 110.351 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.443 ' CG1' HD11 ' A' ' 82' ' ' LEU . 52.0 t -40.92 -63.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -46.29 -47.89 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -35.69 77.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.461 HG21 ' CG2' ' A' ' 80' ' ' ILE . 89.4 mt -72.48 -60.21 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.505 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 0.7 OUTLIER -57.26 -34.4 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 91' ' ' GLN . 41.6 m -83.31 179.71 7.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 43.66 60.49 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -126.86 133.48 50.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 t -102.78 142.18 34.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.72 171.18 2.57 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.441 1.088 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -40.6 160.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 0.731 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -138.99 151.14 46.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -107.16 136.4 47.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 tt -128.86 138.96 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 4.0 m -118.47 109.41 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.9 m -118.39 162.72 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.439 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 22.8 ttt180 -90.24 141.96 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.2 mt -71.25 -61.83 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.388 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -93.49 88.8 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.439 HD23 ' CZ ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -177.13 124.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.404 ' N ' HD11 ' A' ' 109' ' ' LEU . 34.4 m120 -133.19 141.22 47.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.31 -64.83 1.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.9 t 67.64 128.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -84.62 141.53 19.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 95.16 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.559 1.82 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 t -158.23 123.25 4.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.997 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.72 116.64 26.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.95 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 111.037 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -177.44 -57.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.048 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.81 166.89 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.39 161.46 2.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.398 1.061 . . . . 0.0 111.042 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 t -137.22 86.51 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 110.023 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -155.26 91.64 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.11 116.21 1.04 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -148.08 147.36 29.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 0.81 . . . . 0.0 109.609 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -79.13 155.16 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pp -59.32 -31.73 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -100.49 161.39 24.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 132.1 15.1 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.552 1.817 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.35 168.23 20.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.96 128.81 20.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -103.82 92.35 4.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.13 141.72 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -101.96 156.37 17.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 4.6 mt -127.33 119.43 52.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.462 ' HA ' ' CB ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -90.8 155.67 18.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.37 -67.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.352 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t0 48.82 80.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.56 -49.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.23 96.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 28' ' ' SER . 2.6 m-20 -55.64 -70.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -167.17 -67.42 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.523 1.14 . . . . 0.0 109.658 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 m -159.32 -91.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.383 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.0 m -92.96 24.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 0.6 OUTLIER -117.69 113.72 22.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 148.58 118.06 0.95 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.42 1.075 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -60.39 -64.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.7 -152.29 10.83 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 mt -88.1 50.99 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.277 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 38.85 67.9 0.52 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.4 tt -155.02 140.95 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -114.98 104.95 12.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -113.47 116.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.426 HG22 ' CB ' ' A' ' 54' ' ' ALA . 55.9 t -93.81 122.83 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.31 173.64 24.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.45 30.37 77.4 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.499 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -103.19 138.14 40.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.17 138.69 58.43 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.481 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 13.1 mt -107.76 139.97 21.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.95 -72.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.544 1.813 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.14 -50.89 5.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.17 138.75 58.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 0.754 . . . . 0.0 109.6 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -64.13 85.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.02 74.11 0.17 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -139.45 138.51 36.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.8 pt -79.64 157.39 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.31 -152.06 7.25 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -137.13 148.82 46.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 0.801 . . . . 0.0 109.28 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.499 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 18.7 p90 -151.21 148.11 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 3.9 mt -61.34 107.41 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.426 ' CB ' HG22 ' A' ' 37' ' ' VAL . . . -79.26 -56.03 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -138.83 143.0 38.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.138 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mt -110.7 106.48 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -41.19 150.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.4 Cg_endo -75.03 137.77 22.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 37.22 52.96 1.67 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.58 -165.8 24.45 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.47 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 68.4 m -77.28 -33.63 55.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.062 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.4 -48.71 39.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.13 -27.26 67.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -48.96 66.13 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.418 1.074 . . . . 0.0 110.278 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.2 p -51.54 -45.09 62.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.382 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.2 11.59 85.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -109.11 -24.77 11.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.37 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.42 144.99 32.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.5 mmt -143.21 151.84 41.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.53 150.25 47.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.05 -35.66 3.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.145 . . . . 0.0 110.961 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.426 ' HB2' ' CD1' ' A' ' 53' ' ' ILE . 1.8 mmm -45.46 135.38 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.458 ' OE1' ' CG2' ' A' ' 42' ' ' ILE . 36.0 tt0 -91.18 114.53 27.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.71 109.63 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' CYS . 3.1 mt -65.18 -58.53 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -137.95 155.85 48.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.595 ' CE3' HG13 ' A' ' 103' ' ' ILE . 15.5 t-105 -127.14 121.89 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 108.076 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.576 ' N ' HD21 ' A' ' 78' ' ' ASN . 1.4 m-80 53.06 29.98 8.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.64 -37.76 3.32 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.2 mp -69.79 126.9 92.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.69 43.29 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.442 1.759 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.452 HD23 ' CG1' ' A' ' 90' ' ' VAL . 78.6 mt -118.17 -2.53 11.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.386 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.427 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.9 m -76.67 129.37 36.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 83' ' ' THR . 0.4 OUTLIER 80.49 35.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -130.31 -175.79 3.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.8 p -123.47 157.53 33.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -37.75 -58.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.375 1.047 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -50.86 -70.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLU . 2.4 mt-10 -38.85 -65.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.452 ' CG1' HD23 ' A' ' 82' ' ' LEU . 91.8 t -42.28 -59.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -41.85 -63.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -52.86 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mt -52.34 -43.34 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -74.74 -58.95 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -38.55 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -48.18 109.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.422 ' NE2' ' OD1' ' A' ' 78' ' ' ASN . 11.0 tp-100 -160.67 -79.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.86 67.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.77 176.95 14.62 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.462 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -41.85 156.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 110.338 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -153.61 158.49 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -102.92 169.75 8.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.595 HG13 ' CE3' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -145.97 152.33 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' LEU . 42.2 t -140.2 88.16 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.522 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -109.34 164.97 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.522 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 28.1 ttp180 -97.36 140.9 31.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 108' ' ' ASP . 48.6 mt -71.68 -99.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 107' ' ' LEU . 17.4 m-20 -43.67 166.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.425 ' CD2' ' NH2' ' A' ' 106' ' ' ARG . 9.6 tt 69.1 159.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.211 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -172.89 137.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.46 94.67 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.02 -176.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -130.68 174.76 19.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 164.77 32.76 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.11 118.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.924 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.13 -59.01 0.65 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.958 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.22 -80.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 0.809 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.21 134.15 7.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.56 -174.48 48.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.11 138.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 0.797 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 p -132.03 -56.17 0.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.38 51.35 5.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.384 1.053 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -143.87 126.98 16.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 0.724 . . . . 0.0 109.559 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.672 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 2.1 m-85 -63.74 162.97 12.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 pp -68.43 -35.22 69.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.672 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 30.0 p90 -87.98 161.73 43.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.39 6.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -145.2 162.48 37.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.26 136.24 49.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.31 92.78 3.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 17' ' ' LYS . 4.3 mp -126.16 165.5 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.43 154.69 26.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 103' ' ' ILE . 8.3 mm -104.31 117.5 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.39 132.4 46.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -91.03 97.47 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.251 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.3 120.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 t -172.67 123.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.187 . . . . 0.0 109.971 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.69 131.55 8.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -178.32 104.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -104.64 103.84 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -174.55 159.06 2.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.7 137.96 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.57 -59.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.5 -135.49 12.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.078 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -166.05 108.06 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.6 -129.97 0.03 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp -84.51 102.29 12.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 0.794 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.42 ' CA ' HD13 ' A' ' 57' ' ' LEU . . . -78.66 72.29 2.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.9 tt -131.91 132.07 61.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -114.68 105.39 13.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.0 mt -120.57 127.86 75.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -104.89 118.56 52.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.33 163.06 27.41 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.423 1.077 . . . . 0.0 111.062 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.71 51.63 24.23 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -123.2 141.85 51.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -65.83 133.97 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 15.3 mt -98.21 140.01 21.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.05 101.0 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.572 1.827 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.52 78.36 1.09 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -163.05 38.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.602 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.88 40.18 24.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.55 68.32 1.76 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -122.45 156.8 33.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 0.809 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 pt -103.82 160.03 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.33 -160.66 12.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.552 1.158 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.19 142.88 51.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.368 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -145.54 164.85 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.7 mt -81.57 116.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.64 -52.24 12.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -148.14 147.38 29.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.451 ' N ' ' CD ' ' A' ' 55' ' ' LYS . 3.4 mt -109.63 112.8 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.42 HD13 ' CA ' ' A' ' 33' ' ' GLY . 7.4 mt -54.54 162.65 1.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 125.56 9.43 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.479 1.779 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 44.13 35.63 3.67 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.28 178.02 53.07 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 m -55.49 -33.13 63.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.771 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -79.19 -60.06 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.43 -27.14 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -38.93 69.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.2 p -63.12 -46.93 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.07 -39.79 3.08 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -12.78 60.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.783 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.452 ' CD1' HD12 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -90.46 152.83 20.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.96 170.77 19.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.177 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -77.51 157.85 30.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.41 22.22 65.34 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.408 1.068 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 13.8 mmm -93.43 126.77 38.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -81.58 116.37 21.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.2 t -86.71 111.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 104' ' ' CYS . 11.2 mt -63.22 -55.84 21.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.46 ' CG ' ' HA ' ' A' ' 81' ' ' PRO . 2.7 mt-10 -138.94 162.1 35.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.466 ' CE2' HG21 ' A' ' 94' ' ' ILE . 32.9 t-105 -139.04 119.08 13.39 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 60.11 29.67 19.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.92 -46.38 2.27 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.9 mp -64.47 124.48 86.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.0 109.37 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.46 ' HA ' ' CG ' ' A' ' 76' ' ' GLU . 18.7 Cg_endo -74.89 152.35 41.23 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.495 1.787 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 23.8 mt -114.81 9.98 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.239 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 84' ' ' SER . 30.8 m -84.8 122.14 28.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 83' ' ' THR . 3.0 t 84.25 33.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -123.14 -162.27 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.5 p -135.96 152.12 50.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.59 1.181 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -37.72 -57.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.75 -67.17 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.338 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -41.33 -64.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 93' ' ' ILE . 71.1 t -43.87 -57.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.516 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.33 -52.53 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.91 -40.64 80.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 90' ' ' VAL . 62.1 mt -62.44 -35.02 67.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -85.07 -66.03 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 91' ' ' GLN . 1.2 t -53.15 153.31 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.066 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 55.16 102.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.99 -163.32 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.33 73.57 0.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.941 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.5 -130.41 20.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -53.33 -179.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 110.322 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.73 149.35 1.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.13 136.24 33.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.467 HG22 ' CD1' ' A' ' 18' ' ' ILE . 6.7 tt -121.97 112.57 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' LEU . 36.9 m -100.3 103.05 14.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -118.94 163.89 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.503 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 71.0 ttt180 -90.58 156.33 18.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.8 mt -81.6 -85.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -70.14 86.74 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.25 139.21 14.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.07 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -137.89 134.8 35.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.62 69.48 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.9 m -134.56 159.64 40.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -123.29 -145.95 6.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.583 1.177 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.69 3.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.81 141.64 56.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.043 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.9 p -97.46 100.98 12.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.099 . . . . 0.0 110.942 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t 42.82 91.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.85 78.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.24 68.02 0.63 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -110.95 136.98 49.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 109.954 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -99.45 78.22 2.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.963 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.03 102.95 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -146.24 130.06 17.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.797 . . . . 0.0 109.631 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 14.2 m-85 -62.82 167.73 4.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.04 -25.45 27.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 30.5 p90 -96.6 161.66 25.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 125.37 9.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.397 1.735 . . . . 0.0 111.041 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.07 169.65 18.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.38 151.54 40.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 15' ' ' ARG . 28.3 mtm105 -122.72 90.38 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.6 mp -96.93 156.0 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -116.08 130.86 57.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.396 1.06 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mt -91.32 121.2 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.72 126.88 54.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.44 157.91 8.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.89 122.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.87 86.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 110.054 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.18 76.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 59.38 157.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.12 4.63 37.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 109.551 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.7 t -87.63 -19.65 27.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.7 t -119.71 136.1 57.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.6 1.188 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.1 m 62.68 172.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.957 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.41 112.21 0.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -120.21 -54.29 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 0.731 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 168.81 167.06 28.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.573 1.171 . . . . 0.0 111.002 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 98.0 mt -47.07 -52.14 15.86 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 0.751 . . . . 0.0 109.369 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.39 76.67 1.03 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 tt -151.0 137.75 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.7 109.9 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.5 mt -118.22 130.41 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.217 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.1 t -108.56 131.73 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.79 -171.19 25.46 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.89 36.13 49.69 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.508 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -114.02 137.94 51.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.34 142.36 58.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.453 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 22.3 mt -100.8 139.81 20.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.453 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.7 Cg_endo -74.92 -47.22 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.441 1.759 . . . . 0.0 111.034 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.81 -65.08 3.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -55.89 168.74 0.42 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 0.785 . . . . 0.0 109.576 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.4 m -109.44 121.24 44.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.973 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 39.69 65.89 0.82 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.03 139.5 23.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 110.228 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.9 pt -98.71 150.76 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.7 -155.32 7.39 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.44 156.24 43.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 20.4 p90 -160.62 147.06 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 88.7 mt -56.54 113.02 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.83 -55.27 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -136.91 139.73 41.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LEU . 2.2 mt -107.32 108.98 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.494 1.122 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ILE . 1.2 mm? -40.22 152.69 0.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.1 Cg_endo -75.12 132.69 15.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 36.8 44.46 0.94 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.31 -174.73 40.5 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m -64.54 -32.75 74.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 0.763 . . . . 0.0 110.045 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.08 -61.96 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.94 -23.25 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -56.1 26.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.4 p -42.92 -54.89 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.421 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.24 -38.81 2.98 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -35.81 81.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.406 HD13 ' CG2' ' A' ' 103' ' ' ILE . 1.1 mm? -69.58 145.32 52.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.76 154.7 24.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.15 157.15 23.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.95 12.76 83.74 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.4 mmt -95.34 119.72 34.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.601 0.824 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -71.19 116.37 11.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.4 t -80.36 109.83 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.71 -55.41 6.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -140.16 151.13 45.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.491 ' CE2' HG21 ' A' ' 94' ' ' ILE . 31.2 t-105 -128.46 114.22 16.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.452 ' ND2' ' CE2' ' A' ' 77' ' ' TRP . 2.4 m-80 56.36 30.25 16.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.93 -52.67 0.9 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.47 HG21 ' CD1' ' A' ' 93' ' ' ILE . 4.8 mp -59.39 126.51 82.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.78 42.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.593 1.838 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.5 mt -124.0 35.46 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -108.78 140.59 42.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.468 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.07 36.44 9.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.962 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -122.4 -157.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.374 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 82.2 p -138.96 163.19 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -45.55 -62.6 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.0 -63.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -44.67 -64.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.409 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 84.1 t -45.39 -61.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 95' ' ' SER . 15.6 tt0 -41.46 -62.87 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.3 t -40.45 -51.12 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.057 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.47 ' CD1' HG21 ' A' ' 80' ' ' ILE . 29.4 mt -54.81 -42.87 64.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.491 HG21 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -75.09 -63.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -54.4 -169.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 78.42 -60.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -70.52 147.34 49.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.312 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.99 101.94 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.919 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 147.66 -163.94 28.79 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.471 1.107 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -49.55 152.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.594 0.82 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -163.07 162.6 25.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.76 134.64 54.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.406 ' CG2' HD13 ' A' ' 68' ' ' LEU . 6.5 tt -121.91 132.94 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 52.1 m -114.5 114.02 25.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.271 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.42 174.72 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.614 1.196 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -113.81 121.97 45.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.7 mt -52.9 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -76.63 82.48 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.31 148.72 5.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -155.6 138.84 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.57 120.73 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.22 -64.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.422 1.076 . . . . 0.0 110.043 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.51 -156.42 42.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 134.04 17.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.11 138.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.956 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.6 m -52.92 164.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.8 133.63 53.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.905 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.77 75.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.41 -75.19 1.08 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.5 169.36 24.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.747 . . . . 0.0 109.999 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.55 128.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.4 -164.37 11.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.568 ' ND1' ' CD2' ' A' ' 13' ' ' HIS . 4.7 p80 -158.11 -58.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.774 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.668 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 5.0 m-85 -153.27 159.64 42.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.33 -10.15 13.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.668 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 8.4 p90 -115.87 163.22 21.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.96 5.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.563 1.822 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.568 ' CD2' ' ND1' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -136.08 174.79 10.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.97 150.42 29.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -123.33 95.1 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.405 HD13 ' N ' ' A' ' 16' ' ' ILE . 3.7 mp -116.16 119.93 63.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 133.03 34.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.461 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 2.4 mt -76.78 119.72 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.29 131.16 55.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 110.445 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -95.08 114.64 26.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -173.27 107.8 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.53 -53.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.48 152.93 48.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.16 155.09 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -159.72 -75.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.573 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t -125.97 -44.5 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.444 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.2 p -47.18 151.99 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.9 t -172.82 87.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.1 132.09 3.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.451 1.094 . . . . 0.0 111.047 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 57.11 95.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 0.8 . . . . 0.0 109.289 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.21 77.22 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.72 -79.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.74 87.34 1.97 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 tt -156.39 135.88 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.581 0.812 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.38 110.55 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.7 mt -117.3 130.51 72.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.02 122.51 61.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.55 179.29 38.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.437 1.086 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.47 47.98 72.94 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.526 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -124.16 127.44 47.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 0.81 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.88 137.8 37.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.5 mt -94.29 117.32 67.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 65.41 6.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.33 -50.87 0.09 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.486 1.116 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -68.59 176.39 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 109.605 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.33 87.57 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.03 73.97 0.23 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -137.32 141.2 41.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.09 144.58 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.23 -142.18 3.56 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -138.42 143.6 39.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.239 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.526 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 23.7 p90 -143.17 148.14 36.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.1 mt -66.61 108.97 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.28 -55.76 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -137.19 147.95 46.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mt -115.83 106.88 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -39.93 145.11 0.48 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 60' ' ' GLY . 18.2 Cg_endo -75.04 147.4 33.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 37.56 31.89 0.09 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 58' ' ' PRO . . . -86.38 -171.07 47.54 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.461 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 22.5 m -78.57 -41.44 31.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 110.017 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.47 85.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -73.69 -28.93 62.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -51.89 67.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -40.02 -53.48 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.2 -36.89 3.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -68.16 -25.4 65.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.79 140.02 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.1 mtm -155.21 157.86 37.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.3 146.21 54.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.04 6.57 69.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.413 1.07 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.3 mmt -88.59 123.54 33.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -73.0 116.11 13.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.241 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 82.0 t -74.28 109.7 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.6 mt -77.43 -58.56 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -139.41 152.32 46.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.505 ' CE2' HG23 ' A' ' 94' ' ' ILE . 69.6 t-105 -131.46 117.08 18.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.564 ' N ' HD21 ' A' ' 78' ' ' ASN . 1.3 m-80 51.02 35.45 12.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.84 -45.33 2.33 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.408 HG23 ' CD1' ' A' ' 93' ' ' ILE . 3.4 mp -64.52 119.49 57.38 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.18 43.14 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.434 ' CD2' HG23 ' A' ' 93' ' ' ILE . 28.8 mt -121.19 39.61 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.2 m -105.15 128.03 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.393 1.058 . . . . 0.0 110.496 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 t 67.14 47.61 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -128.38 178.55 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.8 p -112.94 152.43 29.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -37.81 -57.55 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.183 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.84 -66.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -39.19 -66.7 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.227 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 93' ' ' ILE . 46.1 t -43.44 -58.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.2 OUTLIER -45.98 -40.66 10.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.2 t -64.86 -35.76 82.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.434 HG23 ' CD2' ' A' ' 82' ' ' LEU . 68.3 mt -67.7 -34.99 71.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.505 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -84.81 -61.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 91' ' ' GLN . 2.5 t -38.77 137.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.07 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 74.22 94.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -134.61 153.77 51.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 m -124.07 134.05 53.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 46.62 -142.43 5.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.409 1.068 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.36 179.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.242 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -161.84 162.1 29.26 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.229 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.57 137.72 46.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 tp -135.77 154.15 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 18.0 t -140.63 116.29 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.264 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.8 m -116.67 176.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.645 ' NH2' ' CZ ' ' A' ' 11' ' ' PHE . 27.7 ttm180 -118.58 114.51 22.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.361 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.4 mt -54.22 -68.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -41.07 -72.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.64 131.0 3.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.56 101.28 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.46 74.76 6.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.33 77.83 1.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.412 1.07 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -47.88 159.34 0.6 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.87 0.7 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.64 96.53 2.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.34 129.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.1 . . . . 0.0 111.002 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -169.69 86.51 0.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 0.771 . . . . 0.0 109.987 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -167.02 117.4 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.28 -82.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.41 135.97 55.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 109.985 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t 59.33 108.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.066 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.82 165.92 16.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -110.42 128.86 55.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.621 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.542 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 4.3 m-85 -60.84 175.18 0.51 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -75.0 -26.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.542 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 23.5 p90 -99.89 161.25 24.95 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 127.72 10.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.493 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -145.53 172.63 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.615 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -154.0 152.63 30.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -117.93 83.91 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' A' ' 17' ' ' LYS . 2.9 mt -77.64 159.25 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -110.03 147.8 32.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 16.2 mm -104.99 117.16 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.32 129.75 54.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 110.357 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.44 ' CG ' HD23 ' A' ' 32' ' ' LEU . 1.2 mtt180 -87.41 135.72 33.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.65 101.96 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.04 85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.63 103.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.01 160.16 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -84.62 -62.29 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.643 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 26' ' ' THR . 12.6 p -72.36 85.64 1.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.342 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.9 t -105.16 135.93 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.0 t -86.04 132.57 34.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.51 -138.29 3.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -141.98 128.32 19.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.27 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.32 174.59 0.04 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.44 HD23 ' CG ' ' A' ' 20' ' ' ARG . 46.2 mt -91.18 63.55 5.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 0.811 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 41.72 39.74 2.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.5 tt -131.45 136.53 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -109.35 107.59 17.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -121.79 122.09 65.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.408 HG13 ' CD2' ' A' ' 87' ' ' TYR . 24.2 t -99.66 127.89 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.0 -168.64 33.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.525 1.141 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.62 38.66 29.18 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -110.97 141.1 44.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.355 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.02 131.64 39.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.48 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 9.4 mt -92.95 140.21 23.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 128.07 11.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.07 -41.54 2.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 0.0 111.045 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.74 143.67 46.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 0.805 . . . . 0.0 109.596 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.69 93.48 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.27 68.92 0.79 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.56 145.89 39.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.2 pt -108.14 167.34 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.596 1.185 . . . . 0.0 109.227 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.62 -150.48 6.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -137.49 146.5 44.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -150.81 151.51 32.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.7 mt -66.34 117.51 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.38 -52.03 10.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 28.7 tptt -158.58 125.23 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.424 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 3.6 mt -74.62 97.92 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' ILE . 1.4 mp -40.5 152.68 0.23 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 60' ' ' GLY . 18.3 Cg_endo -74.96 150.46 38.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.553 1.817 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.45 30.48 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.434 1.084 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' PRO . . . -89.65 179.3 44.47 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.9 m -70.85 -26.0 63.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 0.809 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.99 -52.74 8.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -58.07 -20.08 36.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.593 1.183 . . . . 0.0 110.363 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.71 -58.6 7.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.076 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.4 p -39.35 -50.84 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.13 -32.11 5.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -74.38 -39.54 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.358 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.19 139.79 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mtt -137.86 133.15 33.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.958 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.413 ' HG3' ' CD1' ' A' ' 56' ' ' ILE . 4.7 mp0 -53.45 148.56 8.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.72 5.86 83.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.147 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.76 117.68 23.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -67.74 123.58 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.266 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.4 t -87.59 109.59 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.5 mt -72.38 -54.66 8.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -141.32 159.54 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.505 ' CD1' ' HA ' ' A' ' 94' ' ' ILE . 34.9 t-105 -134.37 104.14 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 66.27 29.63 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.13 -54.86 0.68 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 93' ' ' ILE . 3.4 mp -56.31 119.9 31.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 150.25 38.23 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.544 1.813 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.6 mt -114.07 34.01 4.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.4 m -107.92 126.13 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.431 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.55 42.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -126.95 -156.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.5 p -134.0 153.17 51.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 110.361 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.408 ' CD2' HG13 ' A' ' 37' ' ' VAL . 4.2 t80 -40.79 -52.38 3.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.394 1.059 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.66 -66.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.179 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -39.86 -60.95 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 91' ' ' GLN . 87.3 t -43.11 -64.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -37.55 -64.23 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.361 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.35 -54.43 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.459 ' CD1' HG22 ' A' ' 80' ' ' ILE . 33.4 mt -51.14 -41.42 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.364 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.505 ' HA ' ' CD1' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -76.84 -62.68 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -52.86 162.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.984 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 70.57 70.95 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.398 1.062 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -173.45 76.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -96.35 74.08 2.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 175.63 45.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 3.7 tt0 68.24 148.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -150.42 162.1 41.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.71 134.66 49.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.6 tt -121.03 128.82 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.248 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 50.3 t -107.98 103.07 12.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.6 m -114.97 159.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 12.4 ttp85 -95.58 135.97 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' ASP . 20.9 mt -67.72 -96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -48.46 175.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 110' ' ' ASN . 7.7 tt 59.48 156.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.242 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.413 ' N ' HD22 ' A' ' 109' ' ' LEU . 4.3 m-80 -154.41 163.87 39.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.76 144.03 26.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.49 -66.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.076 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 117.43 -145.18 18.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.91 -55.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.4 m -47.86 104.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.986 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.0 t -131.97 90.87 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m -126.73 118.67 25.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.036 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.15 111.02 22.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.81 -170.5 0.09 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t 70.4 112.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 0.803 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.48 128.56 55.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.47 113.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -166.85 127.19 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.618 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.713 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 2.4 m-85 -56.84 177.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pt -85.77 -19.86 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.713 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 28.0 p90 -103.53 161.52 22.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.93 120.16 5.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -136.4 -173.05 3.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.49 125.81 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.453 1.096 . . . . 0.0 109.394 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -92.23 86.83 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.492 ' CD1' ' CB ' ' A' ' 67' ' ' LYS . 85.1 mt -85.95 147.34 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' N ' HG21 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -95.3 161.23 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.9 mm -119.69 115.72 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.467 ' CG2' ' HG2' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -113.71 127.05 55.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -56.66 115.33 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 22' ' ' SER . 42.6 t0 -52.66 -49.54 65.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 0.9 OUTLIER 163.48 -84.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -117.21 -68.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 49.37 86.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.177 . . . . 0.0 109.334 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 72.72 -87.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.6 p -47.95 120.19 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 28' ' ' SER . 1.0 OUTLIER -82.83 -45.85 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.434 ' N ' ' CG1' ' A' ' 27' ' ' VAL . 0.6 OUTLIER -143.72 122.02 12.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.08 141.44 11.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.426 1.079 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.67 91.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 0.797 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.3 -49.93 0.95 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mp -62.63 111.02 1.9 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.97 83.49 0.69 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 tt -144.94 132.58 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -117.27 105.19 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.239 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.3 mt -113.05 132.26 62.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.1 t -107.5 124.53 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.89 151.42 18.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.568 1.167 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.59 8.65 54.35 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -87.99 136.57 32.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -73.48 125.42 27.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.6 mt -77.71 135.42 64.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' CD ' ' HG2' ' A' ' 111' ' ' MET . 18.3 Cg_endo -75.0 66.53 6.02 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.0 79.59 0.3 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.22 43.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.657 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.11 58.91 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.072 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.27 67.86 1.01 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.461 1.1 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -128.84 141.49 51.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.4 pt -86.78 175.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 177.85 -159.37 25.11 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -125.56 148.41 48.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.783 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -152.18 148.74 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.8 mt -57.25 113.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.2 -54.16 4.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -134.72 144.46 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mt -119.73 107.36 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -40.96 151.05 0.28 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 99.63 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.58 45.25 90.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.51 -147.22 17.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.594 0.82 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 m -80.67 -36.4 32.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.55 -57.32 3.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -51.71 -25.18 6.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -58.84 6.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.9 p -41.58 -59.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.75 -52.25 0.65 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.558 1.161 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' CB ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.24 -29.83 64.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.576 0.81 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.89 126.52 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 2.0 ttp -151.62 152.4 32.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 69' ' ' MET . 1.4 mt-10 -55.33 150.85 10.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.75 -5.53 84.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.1 mmm -82.86 125.28 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.76 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -69.76 146.67 51.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 110.264 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.442 ' CG1' HD11 ' A' ' 82' ' ' LEU . 93.7 t -115.53 110.08 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.3 mt -81.73 -56.93 3.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -138.15 150.49 46.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.551 ' CZ3' ' HB ' ' A' ' 103' ' ' ILE . 16.2 t-105 -129.15 107.26 9.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.2 m-20 69.82 29.73 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.72 -47.05 1.57 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.46 HG23 ' CD1' ' A' ' 93' ' ' ILE . 4.5 mp -64.38 127.7 92.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 154.55 42.41 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.468 1.773 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.442 HD11 ' CG1' ' A' ' 74' ' ' VAL . 74.0 mt -120.65 33.09 5.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -109.29 140.33 43.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t 67.9 32.18 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.033 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -121.03 -164.35 1.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.4 p -131.87 156.66 45.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -38.63 -62.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -48.21 -69.62 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' VAL . 26.5 mt-10 -38.84 -67.38 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' GLU . 72.0 t -40.08 -63.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.7 OUTLIER -39.38 -62.11 0.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -54.32 3.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 80' ' ' ILE . 32.3 mt -50.48 -38.39 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -80.75 -61.5 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -37.33 -47.23 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -68.0 112.75 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.423 ' OE1' ' ND2' ' A' ' 78' ' ' ASN . 55.5 tp60 -179.08 148.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.3 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.84 80.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . 132.63 51.58 0.09 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.467 ' HG2' ' CG2' ' A' ' 19' ' ' THR . 3.3 mp0 60.27 145.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -135.2 166.54 22.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.1 mt-10 -109.75 136.08 49.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.551 ' HB ' ' CZ3' ' A' ' 77' ' ' TRP . 14.3 tt -118.97 131.04 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.8 t -106.96 115.03 29.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 108.287 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.6 m -113.17 159.93 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.433 ' NH2' ' CE2' ' A' ' 11' ' ' PHE . 34.9 ttm180 -110.24 104.75 13.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.7 mt -40.48 -71.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.35 -169.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 110' ' ' ASN . 0.4 OUTLIER 65.07 -83.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.17 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 109' ' ' LEU . 4.0 m120 61.59 143.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.404 ' HG2' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -98.22 89.58 4.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.056 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.7 m 63.25 108.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.1 -144.87 8.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.064 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 96.64 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.0 p -100.25 154.17 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.049 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.4 t -76.14 152.72 36.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.983 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -121.67 116.77 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.034 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.37 -82.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.89 83.59 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -40.76 133.38 2.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 110.022 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 m -102.21 89.78 3.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.64 -161.41 31.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.451 1.094 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -106.23 -78.47 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 0.0 109.666 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.616 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -119.6 173.34 7.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 pt -59.23 -36.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.616 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 4.6 p90 -92.33 161.66 32.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 138.54 23.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.22 169.06 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.616 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.05 108.4 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 98.09 9.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 mm -127.68 154.1 37.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -111.06 127.39 55.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.233 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -88.14 117.95 32.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.82 133.25 51.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -71.49 114.65 9.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.278 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -63.21 128.42 35.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 50.28 74.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 90.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.34 143.84 30.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -74.0 96.26 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.7 m -136.56 147.46 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -59.48 146.39 9.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -39.64 110.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.051 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.37 -103.36 0.42 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -116.79 158.43 23.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.793 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.19 166.87 33.57 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.48 1.112 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 71.18 -62.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 0.805 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.464 ' CA ' ' HG ' ' A' ' 57' ' ' LEU . . . 79.3 69.55 1.39 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.7 tt -151.74 128.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.345 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.06 117.49 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -119.93 129.92 74.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.5 121.5 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.69 -177.22 39.8 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.21 57.06 6.57 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.4 138.78 51.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 0.728 . . . . 0.0 109.355 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.54 133.52 55.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 18.2 mt -93.66 139.97 22.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.92 -63.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.54 1.811 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.61 -51.96 3.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -70.08 168.85 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.636 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -53.02 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.09 92.6 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -161.45 139.44 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.1 pt -96.8 139.46 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.96 -159.5 8.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.26 144.93 51.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 0.803 . . . . 0.0 109.37 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -146.86 151.99 37.97 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 0.0 111.058 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.6 mt -71.91 108.15 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.27 -55.58 31.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -157.17 175.53 13.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mt -115.26 152.17 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.464 ' HG ' ' CA ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -81.97 154.14 70.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 102.32 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.529 1.805 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.08 43.98 37.84 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.47 -173.93 35.43 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.9 m -71.05 -39.95 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 110.044 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.29 83.43 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -30.74 64.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -56.07 26.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.4 p -39.9 -59.88 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.22 -11.2 72.71 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.164 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 -28.07 21.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.32 157.42 34.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mtt -147.88 147.85 30.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.95 151.51 47.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.78 32.79 74.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.64 138.59 40.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -86.09 122.36 30.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.98 118.98 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.459 HD11 ' CE1' ' A' ' 11' ' ' PHE . 21.3 mt -74.32 -51.8 14.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -145.38 162.08 38.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.531 ' CE2' ' HA ' ' A' ' 94' ' ' ILE . 1.4 t-105 -135.62 115.54 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 58.1 30.19 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.69 -47.42 1.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 5.2 mp -58.27 125.29 74.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.577 0.81 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.47 32.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.586 1.835 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.3 mt -115.46 24.75 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.6 m -103.15 138.5 39.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.9 t 66.83 30.52 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -114.48 -154.65 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 p -139.31 152.03 46.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.363 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -37.24 -60.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -48.04 -67.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' VAL . 17.6 mt-10 -38.51 -71.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' GLU . 59.9 t -39.51 -46.39 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -62.8 -50.96 68.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 t -57.63 -29.67 64.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.028 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.61 -59.92 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.531 ' HA ' ' CE2' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -58.74 -31.81 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 91' ' ' GLN . 30.9 t -66.75 151.79 46.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.011 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 66.01 -160.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 75.5 43.32 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.16 -171.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.74 -82.89 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 100' ' ' GLU . 0.7 OUTLIER -44.87 164.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.322 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.495 ' HB1' ' CZ2' ' A' ' 77' ' ' TRP . . . -173.54 162.41 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -113.05 136.54 52.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.3 tt -127.39 144.08 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 51.2 t -124.21 97.52 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 108.341 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.508 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -111.42 163.91 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.508 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 56.0 ttt180 -92.74 150.64 20.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 13.1 mt -75.4 -77.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.57 92.87 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.59 124.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -117.92 155.39 30.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.384 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.82 110.91 4.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.65 161.7 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.52 -173.24 36.91 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.545 1.153 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.39 4.27 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.559 1.821 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.9 m -106.67 111.08 23.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.38 114.07 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -72.62 -58.99 2.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.79 . . . . 0.0 110.044 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 t -113.6 -55.52 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.042 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.4 150.19 7.36 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.63 164.78 11.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.42 139.92 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.962 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.06 177.61 53.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -159.66 132.68 6.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 0.818 . . . . 0.0 109.52 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.628 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 1.7 m-85 -63.56 165.02 8.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 111.046 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.5 pt -69.52 -26.03 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.083 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.628 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 46.6 p90 -99.34 162.19 22.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.65 4.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.413 ' ND1' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -141.28 173.62 11.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.569 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.83 143.62 25.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -110.79 101.22 9.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.315 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.421 ' N ' HD13 ' A' ' 16' ' ' ILE . 3.9 mp -117.35 109.34 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -84.66 128.84 34.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.5 mt -76.95 120.81 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.402 ' CG2' ' HG2' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -105.26 135.17 47.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.51 139.27 41.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.16 170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.26 101.37 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.536 1.148 . . . . 0.0 109.959 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -116.7 157.74 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.27 151.26 0.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -64.56 -67.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 28' ' ' SER . 11.7 t -101.3 157.59 16.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 110.372 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.9 t 69.64 -69.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 26' ' ' THR . 32.9 t 66.2 -72.82 0.08 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . 65.85 92.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -171.61 -46.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.88 124.07 0.03 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mp -47.54 -71.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.25 84.06 0.51 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 tt -156.66 127.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.454 0.737 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.474 ' CG ' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -110.82 112.78 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.8 mt -120.4 128.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.0 t -100.08 117.44 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.62 -171.96 45.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.553 1.158 . . . . 0.0 111.065 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.24 18.43 9.62 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.552 ' HG2' ' CE1' ' A' ' 52' ' ' TYR . 22.1 tptm -89.87 145.87 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.747 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' HG2' ' NE2' ' A' ' 45' ' ' HIS . 3.7 tt0 -75.1 127.76 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.608 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 13.7 mt -72.12 142.4 84.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.02 57.56 4.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.84 92.6 0.71 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.382 1.051 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -156.41 -179.42 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 109.59 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -106.84 54.11 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.84 72.56 0.99 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.084 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.487 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -137.59 -153.42 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 0.729 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.487 ' CG2' ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -176.77 128.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.72 -169.27 12.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -119.52 148.91 42.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.552 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 28.5 p90 -141.56 155.98 45.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.0 mt -67.83 116.96 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.411 1.069 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.64 -53.51 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -154.03 136.8 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' LEU . 3.4 mt -78.18 90.55 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.474 HD21 ' CG ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -38.25 142.62 0.46 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.435 ' HD2' ' CD1' ' A' ' 57' ' ' LEU . 18.4 Cg_endo -75.07 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.03 -62.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.05 5.39 8.9 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -82.47 -54.71 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.36 -16.81 19.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -79.55 -18.36 51.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' THR . 0.6 OUTLIER -75.95 -51.77 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' GLN . 38.6 p -37.7 -53.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.354 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.1 -40.19 3.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.27 -15.22 32.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -86.62 145.59 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.2 mtm -153.66 147.23 25.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.88 149.06 45.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.98 -9.87 70.59 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mmt -62.64 119.79 9.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 0.787 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.35 101.42 0.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 51' ' ' ALA . 99.5 t -72.31 110.74 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.357 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.505 HD12 ' CE2' ' A' ' 11' ' ' PHE . 9.8 mt -74.49 -54.38 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -140.35 159.77 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.515 ' CE2' HG23 ' A' ' 94' ' ' ILE . 30.5 t-105 -140.08 118.0 11.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 60.13 29.68 19.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.52 -42.96 2.38 Favored Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.415 HG21 ' CD1' ' A' ' 93' ' ' ILE . 5.2 mp -67.98 127.17 93.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.413 0.714 . . . . 0.0 109.215 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 156.67 42.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.8 mt -122.83 34.83 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -104.81 139.35 39.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.494 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.82 39.1 8.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.988 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -125.05 -172.31 2.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' TYR . 23.7 p -126.78 153.43 45.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.415 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 86' ' ' THR . 14.9 t80 -37.06 -54.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.063 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -54.12 -72.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.565 1.166 . . . . 0.0 110.342 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' GLU . 20.7 mt-10 -37.73 -65.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 93' ' ' ILE . 75.7 t -40.46 -60.77 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -45.32 -43.03 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -35.36 77.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 90' ' ' VAL . 59.6 mt -70.89 -36.97 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.515 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -81.92 -69.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.369 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 91' ' ' GLN . 80.5 p -40.92 158.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 72.72 66.24 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.35 167.33 16.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 98.6 p -156.95 99.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.81 -147.51 16.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.402 ' HG2' ' CG2' ' A' ' 19' ' ' THR . 0.2 OUTLIER -61.44 -175.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.35 122.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 142.34 38.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.7 tp -138.69 153.62 25.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 38.7 t -133.65 125.55 28.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 108.373 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.3 m -135.92 146.48 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -91.19 122.6 33.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.6 mt -46.34 -64.55 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.83 175.34 5.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.451 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 0.2 OUTLIER 63.89 137.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -154.65 131.12 10.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 8.0 mtt -75.22 118.62 18.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.423 1.077 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.09 115.04 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.997 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.54 142.48 19.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 164.68 32.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.68 140.59 33.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.5 m -116.36 119.1 34.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.032 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.11 160.22 7.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 0.797 . . . . 0.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -96.47 156.36 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.89 145.74 4.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -69.3 -56.51 7.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.754 . . . . 0.0 109.986 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t 59.56 92.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.046 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.8 125.05 7.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -155.52 136.16 13.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.773 . . . . 0.0 109.582 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.753 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 7.0 m-85 -76.5 177.97 6.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pt -79.78 -14.3 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.753 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 35.9 p90 -111.66 161.79 23.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 117.68 4.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.27 167.94 20.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.595 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.75 139.26 23.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -106.85 100.5 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.3 mp -113.31 109.63 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.395 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 132.66 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 3.4 mt -78.53 120.45 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.0 150.47 27.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -76.84 -51.34 11.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.76 -83.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t 56.12 91.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.03 -73.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.2 121.51 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.95 80.25 2.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.611 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.6 p -132.35 87.14 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.3 t -114.21 129.77 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.0 p -152.83 -62.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.003 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.47 100.23 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.064 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -158.44 -51.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.2 -168.79 47.48 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.499 1.125 . . . . 0.0 110.98 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mp -75.93 152.4 37.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.81 100.58 0.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.599 1.187 . . . . 0.0 110.993 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.7 tt -148.89 138.52 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 0.767 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -113.26 105.6 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -112.11 117.98 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.225 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.421 HG22 ' CB ' ' A' ' 54' ' ' ALA . 32.4 t -90.1 133.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.33 173.01 20.97 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.96 42.89 94.54 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -120.99 134.71 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.05 131.91 50.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.2 mt -92.49 112.36 55.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 60.35 5.42 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.798 . . . . 0.0 110.943 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.5 -42.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.428 1.08 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.41 52.63 2.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 0.0 109.552 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.27 -79.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.975 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.33 55.15 0.2 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -109.87 148.33 31.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.2 pt -82.86 156.95 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.17 -167.16 28.42 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.559 1.162 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.84 145.76 45.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 0.822 . . . . 0.0 109.303 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -150.27 160.27 43.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.8 mt -66.14 119.24 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.421 ' CB ' HG22 ' A' ' 37' ' ' VAL . . . -96.58 -52.56 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 tptm -133.93 142.44 47.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.229 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mt -118.12 106.59 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.343 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mp -40.5 153.26 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.3 Cg_endo -75.06 140.35 25.19 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 37.57 50.18 1.84 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.28 -173.76 32.73 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.452 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 17.7 m -74.1 -36.73 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.27 -42.54 65.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.44 -20.64 63.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.04 -53.77 40.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.5 p -38.78 -44.71 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.08 -39.9 3.1 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -16.2 64.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.323 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.85 140.72 29.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.55 156.08 31.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.69 150.92 39.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.35 -23.92 19.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mmt -61.11 121.99 13.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -70.55 129.02 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.451 ' CG1' HD13 ' A' ' 103' ' ' ILE . 53.6 t -93.7 109.99 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.9 mt -71.42 -51.84 21.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.596 1.185 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -145.37 149.63 35.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.493 ' CE2' HG21 ' A' ' 94' ' ' ILE . 68.6 t-105 -122.56 133.18 54.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 108.019 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.522 ' OD1' ' CD1' ' A' ' 80' ' ' ILE . 17.1 p30 43.82 28.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 88.55 -34.45 3.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.522 ' CD1' ' OD1' ' A' ' 78' ' ' ASN . 13.8 mt -65.56 123.21 83.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.444 ' O ' ' NZ ' ' A' ' 85' ' ' LYS . 18.2 Cg_endo -74.97 98.69 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.435 HD11 ' C ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -82.85 5.71 20.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.4 m -77.96 145.85 35.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t 63.83 31.39 14.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -114.54 -153.94 0.53 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.7 p -131.3 149.94 52.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -39.8 -43.77 1.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.18 -67.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' VAL . 3.6 mt-10 -38.88 -66.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.427 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 74.3 t -39.7 -63.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.2 OUTLIER -42.02 -64.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.3 t -44.08 -43.9 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.427 ' HB ' ' O ' ' A' ' 90' ' ' VAL . 25.7 mt -62.38 -42.04 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.493 HG21 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -75.63 -67.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -60.56 83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.061 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 94' ' ' ILE . 2.5 tt0 -177.19 -47.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -57.17 172.79 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.97 149.41 17.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.04 -79.15 1.83 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.137 . . . . 0.0 111.001 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.85 149.94 42.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -140.38 145.36 36.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.48 152.29 20.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.451 HD13 ' CG1' ' A' ' 74' ' ' VAL . 4.2 tp -148.32 150.66 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.18 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.9 t -134.01 109.69 9.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.1 m -117.07 144.61 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.412 ' NH2' ' CD1' ' A' ' 11' ' ' PHE . 23.6 ttm180 -87.51 122.8 31.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 33.8 mt -47.77 -61.95 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -71.34 174.17 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 71.87 172.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 t30 174.28 119.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.3 138.48 39.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.89 139.36 39.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.052 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.47 -167.51 14.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 149.77 37.46 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.7 -16.09 14.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.2 m -163.62 167.89 20.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -176.5 115.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.78 . . . . 0.0 109.98 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.91 159.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.46 -161.45 13.04 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -74.51 171.13 14.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 m 62.83 150.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.969 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.51 -149.51 8.11 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -161.97 133.96 5.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 0.749 . . . . 0.0 109.598 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.705 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 4.9 m-85 -67.01 173.52 3.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pt -78.5 -15.75 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.705 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 25.8 p90 -108.14 161.9 21.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.87 6.84 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -140.57 164.05 31.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -128.65 103.57 7.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -92.02 89.23 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.415 ' N ' HD11 ' A' ' 16' ' ' ILE . 3.8 mp -117.53 136.09 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HD3' ' CG2' ' A' ' 19' ' ' THR . 0.0 OUTLIER -87.43 137.28 32.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.3 mm -63.9 121.17 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.406 ' CG2' ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -114.91 138.57 50.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -96.95 157.15 16.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -97.04 152.54 18.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.45 136.21 2.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' HIS . 7.5 tptt -141.85 -54.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 69.92 -64.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' LYS . 1.6 t-160 -56.97 173.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.624 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.6 m 63.53 138.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.3 m -65.96 174.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.7 m -100.16 88.05 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.49 -132.67 3.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.16 105.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 0.782 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.49 177.28 16.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.059 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp 71.87 145.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.32 107.79 0.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.418 1.074 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 tt -155.03 127.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.37 106.05 16.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.3 mt -118.14 118.42 58.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.3 t -91.67 128.88 43.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.39 138.81 15.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.38 5.61 20.91 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 143.65 28.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.55 127.67 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.5 mt -71.75 116.73 51.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 60.13 5.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.41 -49.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.91 155.18 40.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 109.609 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 m -42.52 -40.77 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.12 85.04 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -139.65 142.23 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.8 pt -90.02 155.84 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.26 -126.85 0.93 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.43 1.082 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -153.61 146.94 24.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -146.38 147.62 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.1 mt -67.9 122.23 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.74 -51.27 6.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -153.75 145.78 23.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.38 1.05 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LEU . 3.6 mt -91.59 90.29 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -39.71 139.12 0.95 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 57' ' ' LEU . 18.3 Cg_endo -74.97 98.37 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.21 -60.52 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . 123.61 3.84 8.36 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.3 m -82.78 -54.61 4.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.036 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.04 -24.62 15.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.45 -21.06 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -74.61 -54.52 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 64' ' ' GLN . 77.7 p -37.44 -53.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.373 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.26 -40.88 3.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.064 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -57.21 -19.34 20.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 0.78 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -82.89 131.75 35.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.389 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.2 mmt -140.9 147.94 39.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 111.033 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -64.48 152.9 40.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.98 -2.25 70.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.7 mmm -72.51 125.57 27.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -72.86 104.72 4.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.32 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 51' ' ' ALA . 53.3 t -72.18 110.33 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.2 mt -77.48 -57.79 3.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -132.35 157.01 45.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.66 ' CE3' HG12 ' A' ' 103' ' ' ILE . 18.6 t-105 -145.91 113.78 6.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 107.96 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 m120 61.19 33.27 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.76 -47.44 3.21 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.436 1.085 . . . . 0.0 111.064 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.465 HG22 ' CD1' ' A' ' 93' ' ' ILE . 5.0 mp -66.09 121.81 78.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.02 42.87 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 38.5 mt -116.23 35.62 4.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -109.04 138.36 45.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 t 69.65 32.98 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -123.93 -158.64 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.1 p -143.25 162.55 35.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.461 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -38.85 -60.54 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.5 mt-10 -50.81 -71.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.228 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -38.79 -66.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.402 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 71.9 t -40.72 -61.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -41.5 -63.93 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -41.49 -51.78 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 80' ' ' ILE . 36.0 mt -52.84 -40.66 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -78.63 -63.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.5 OUTLIER -65.04 92.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 175.79 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -52.49 176.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -149.32 151.06 33.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.025 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.73 -176.91 0.97 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -39.42 135.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 0.721 . . . . 0.0 110.292 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -134.61 179.78 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.99 155.82 17.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.66 HG12 ' CE3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -140.22 154.22 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.0 t -150.34 98.51 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 108.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.9 m -121.51 161.11 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 108' ' ' ASP . 47.1 ttt85 -90.21 132.62 35.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.37 -61.5 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.425 ' O ' ' CD ' ' A' ' 106' ' ' ARG . 9.0 t70 -80.86 161.11 24.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.7 tt 70.55 127.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -139.22 143.13 37.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.24 114.34 26.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.77 -65.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.087 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.21 -145.28 30.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.52 42.67 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.596 1.84 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 51.7 m -138.3 95.79 3.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.919 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.69 -59.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.966 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.567 1.167 . . . . 0.0 110.966 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -112.72 144.33 42.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.001 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.36 115.67 24.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.93 121.74 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.556 1.16 . . . . 0.0 111.028 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 m -164.43 114.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.746 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 m 54.18 82.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.19 64.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.743 ' CG ' ' CE1' ' A' ' 13' ' ' HIS . 3.0 p80 -121.61 -60.04 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 109.63 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.744 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 29.5 m-85 -148.25 176.4 10.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pt -84.66 -9.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.744 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 17.6 p90 -111.65 161.73 24.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 120.98 6.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.743 ' CE1' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -132.57 163.27 29.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 109.567 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.77 103.01 6.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.34 95.56 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 67' ' ' LYS . 47.0 mt -129.42 138.49 54.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -80.91 175.91 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.485 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 11.6 mt -130.94 124.68 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.52 149.24 31.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.345 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 tpt85 -97.92 -65.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.351 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 66.34 97.05 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.03 179.92 5.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 110.02 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -106.39 -59.78 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.69 157.47 7.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -83.33 -63.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.598 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 m -124.44 -57.5 1.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -44.71 138.82 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.01 102.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.061 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.51 115.74 1.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -80.49 -53.42 6.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.72 169.86 20.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.0 mt -50.07 -50.89 46.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 0.709 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.66 58.12 1.07 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 18.3 tt -145.11 135.72 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -112.05 114.89 28.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.1 mt -121.01 130.56 74.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.2 t -116.58 132.47 66.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.222 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.86 -178.43 34.91 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.456 1.097 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.31 50.65 51.54 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.483 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -121.49 132.89 54.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 0.712 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.41 127.23 30.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 15.5 mt -86.36 140.7 34.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.0 -46.8 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.428 1.752 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.43 -69.24 1.33 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -43.9 164.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 0.736 . . . . 0.0 109.526 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -75.64 -43.7 46.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.55 83.96 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -152.76 149.95 28.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.3 pt -98.96 158.04 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.76 -159.27 9.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.63 141.74 50.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.483 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 8.0 p90 -150.82 162.12 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 26.3 mt -76.15 108.59 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.07 -55.47 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 14.6 tptt -155.53 132.65 10.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.437 1.085 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.437 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 4.1 mt -84.21 112.95 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 56' ' ' ILE . 8.2 mt -42.02 163.09 0.13 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 99.42 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.54 36.44 68.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.96 -155.13 1.62 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.485 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 18.8 m -79.71 -50.44 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.512 ' HA ' ' CD1' ' A' ' 68' ' ' LEU . . . -55.49 -44.4 76.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.28 -30.66 70.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.44 -57.97 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 62' ' ' ALA . 77.2 p -42.01 -50.37 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.398 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.3 20.07 21.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -126.73 -44.04 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.512 ' CD1' ' HA ' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -61.43 138.28 58.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.39 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.08 175.05 9.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.33 166.38 22.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 42.05 45.47 4.98 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.4 mmm -102.45 114.85 29.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -59.73 108.87 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.584 1.177 . . . . 0.0 110.323 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.6 t -83.57 109.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.481 HD13 ' CE1' ' A' ' 11' ' ' PHE . 3.5 mt -74.56 -58.21 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -136.03 150.18 49.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.373 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.515 ' CE2' HG23 ' A' ' 94' ' ' ILE . 14.2 t-105 -130.02 125.01 34.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 53.79 30.47 11.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.226 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.76 -38.68 3.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 4.8 mp -69.63 125.39 91.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.99 140.08 25.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.436 ' C ' HD13 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -123.89 21.87 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.8 m -87.51 144.57 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.0 t 60.79 29.64 19.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.056 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.433 ' HG3' ' C ' ' A' ' 82' ' ' LEU . 3.4 mttm -111.93 -172.31 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 p -115.24 154.14 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -37.46 -62.08 0.55 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -48.63 -66.44 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' VAL . 27.1 mt-10 -38.39 -72.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' GLU . 55.7 t -39.91 -61.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.27 -64.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.58 -51.66 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 90' ' ' VAL . 34.3 mt -53.95 -41.35 49.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.515 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -76.77 -63.47 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.578 1.174 . . . . 0.0 109.361 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -49.37 171.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' SER . 2.3 mt-30 74.24 -58.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -61.3 81.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 96' ' ' GLN . 49.7 m -78.96 166.46 22.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.919 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.75 -168.17 53.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.03 170.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 0.773 . . . . 0.0 110.348 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.02 156.84 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.362 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -95.02 150.63 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.462 ' CG2' HD12 ' A' ' 18' ' ' ILE . 3.5 tp -139.42 150.77 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 28.1 m -134.85 102.75 5.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 108.309 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.0 m -121.15 151.04 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -83.39 132.07 35.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.6 -58.67 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 2.6 m-20 -81.23 152.48 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.2 OUTLIER 87.36 137.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -146.38 146.76 30.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.0 mtt -99.11 97.84 8.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.75 125.9 4.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -133.39 166.99 23.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 117.66 5.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.6 p -136.38 165.41 25.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.57 166.16 10.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.916 0 O-C-N 124.412 1.07 . . . . 0.0 111.072 -179.942 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.899 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -154.99 -46.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 0.723 . . . . 0.0 109.949 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.34 -87.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.92 87.32 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 p -156.25 -66.67 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.759 . . . . 0.0 110.05 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -47.9 136.43 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.1 74.56 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 111.051 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -146.5 129.83 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.566 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 8.1 m-85 -57.93 159.97 5.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -18.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 18.9 p90 -106.18 161.79 21.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 122.46 7.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.01 174.15 10.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.39 131.58 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -95.35 88.75 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 17' ' ' LYS . 2.0 mp -92.43 162.36 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 13.0 pttp -112.55 177.95 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.491 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 14.1 mm -139.0 118.48 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.41 154.83 17.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -59.21 147.83 34.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.87 163.79 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.52 79.27 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.25 151.46 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.38 139.99 11.04 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -112.15 -69.92 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.602 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.2 p -131.86 -49.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.404 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 m -125.73 96.8 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.3 m 69.17 -69.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.31 -144.31 16.75 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.459 1.099 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -48.1 156.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' GLY . . . -127.42 -174.58 13.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.48 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' GLY . . . -71.63 73.98 0.76 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.403 ' CD1' ' HB2' ' A' ' 62' ' ' ALA . 7.1 tt -139.03 131.55 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -112.85 104.79 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' A' ' 94' ' ' ILE . 22.3 mt -117.44 137.0 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.764 ' CG2' ' CD1' ' A' ' 52' ' ' TYR . 16.1 m -108.8 -170.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.366 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.429 ' O ' ' CA ' ' A' ' 87' ' ' TYR . . . -168.94 165.15 38.7 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.32 10.71 43.44 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -85.16 132.63 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.12 137.69 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 35.2 mt -89.48 140.78 28.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.93 80.87 2.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.58 1.831 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.82 82.33 1.63 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -161.95 47.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 0.784 . . . . 0.0 109.604 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.96 40.76 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.12 68.58 1.61 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -127.63 139.27 52.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 0.76 . . . . 0.0 110.23 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.8 pt -87.24 139.15 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.18 -164.64 10.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -121.61 137.48 54.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.347 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.764 ' CD1' ' CG2' ' A' ' 37' ' ' VAL . 2.9 p90 -143.98 141.41 30.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.46 HG13 ' CG2' ' A' ' 74' ' ' VAL . 28.5 mt -64.31 107.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.71 -56.49 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -157.36 148.49 21.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mt -101.91 114.82 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.68 148.52 0.54 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 106.78 2.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.4 58.08 13.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.04 -154.54 11.66 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -78.68 -39.57 36.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.033 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.403 ' HB2' ' CD1' ' A' ' 34' ' ' ILE . . . -66.93 -44.48 80.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -73.04 -22.25 60.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -48.54 81.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.9 p -47.63 -49.42 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.67 -47.39 1.08 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.429 1.081 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -58.75 7.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 0.817 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -41.31 131.95 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 mmt -137.82 159.52 41.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.07 156.04 40.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 111' ' ' MET . . . 62.52 32.6 83.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.7 mmm -105.89 121.1 43.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -70.12 113.74 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.46 ' CG2' HG13 ' A' ' 53' ' ' ILE . 12.8 t -82.35 110.26 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mt -65.23 -59.13 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -138.41 161.3 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.492 ' CZ3' ' HB ' ' A' ' 103' ' ' ILE . 37.4 t-105 -137.78 110.97 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 108.045 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 68.24 29.49 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.2 -44.26 2.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.448 HG21 ' CD1' ' A' ' 93' ' ' ILE . 3.8 mp -59.09 127.4 83.79 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.94 142.91 28.64 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.431 ' CD2' HG13 ' A' ' 90' ' ' VAL . 66.1 mt -105.99 -34.62 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.22 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 84' ' ' SER . 19.7 m -54.28 129.57 35.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 83' ' ' THR . 1.2 t 84.98 31.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -130.57 -177.37 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.1 p -110.1 142.54 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.348 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE2' ' HB ' ' A' ' 37' ' ' VAL . 28.3 t80 -38.09 -36.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.92 -66.69 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 90' ' ' VAL . 37.6 mt-10 -41.84 -58.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.431 HG13 ' CD2' ' A' ' 82' ' ' LEU . 73.1 t -39.89 -61.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -37.75 -63.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.94 -55.12 2.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.448 ' CD1' HG21 ' A' ' 80' ' ' ILE . 25.8 mt -50.69 -42.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -74.5 -57.27 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -68.49 63.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.983 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -179.41 77.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.347 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -139.66 163.17 33.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.08 68.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.94 109.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.442 1.089 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 5.5 tt0 74.73 149.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.332 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -154.43 162.33 41.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.246 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.69 134.94 48.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.492 ' HB ' ' CZ3' ' A' ' 77' ' ' TRP . 9.0 tt -120.21 152.59 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.1 t -136.06 110.88 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 108.343 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.47 179.9 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.256 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -119.87 115.16 23.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.4 mt -45.3 -66.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -74.09 88.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.95 147.72 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -154.81 130.99 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.353 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.439 ' CE ' ' HB3' ' A' ' 52' ' ' TYR . 1.2 mtt -120.89 134.15 55.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.5 m -78.71 139.29 38.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.049 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -117.6 156.5 15.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.89 38.64 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.435 1.755 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.4 153.26 50.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 41.6 t -121.56 -59.89 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.969 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 178.85 139.14 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.77 104.12 16.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.966 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.2 115.36 1.99 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.414 1.071 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -91.54 124.23 35.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.034 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.3 p -95.44 96.6 9.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.939 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.85 94.93 0.5 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -158.49 132.17 7.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 0.719 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.797 ' CD1' ' CZ ' ' A' ' 11' ' ' PHE . 26.9 m-85 -59.61 168.02 1.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 pt -77.54 -20.26 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.797 ' CZ ' ' CD1' ' A' ' 9' ' ' TYR . 17.3 p90 -101.29 161.48 23.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.07 5.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.409 ' ND1' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -129.2 165.59 21.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 109.641 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.91 104.23 7.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 94.68 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' A' ' 17' ' ' LYS . 1.8 mp -109.48 162.61 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -108.98 171.14 7.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.5 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 4.9 mm -124.12 116.94 49.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.77 142.87 46.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.366 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.69 113.47 19.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -93.81 110.49 22.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.98 171.76 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -91.03 166.61 12.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -90.77 101.1 13.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.11 79.6 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.675 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.6 p 42.41 -162.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.1 t -107.3 106.46 20.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.27 -55.15 3.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 152.98 -173.73 31.85 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 58.57 94.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.28 104.65 2.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.1 mt 70.02 -69.06 0.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 109.28 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' CA ' ' HB2' ' A' ' 57' ' ' LEU . . . 109.32 79.29 1.1 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.9 tt -154.89 134.84 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -119.29 106.12 12.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.5 mt -110.08 121.41 62.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.12 127.17 53.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.99 -165.54 35.53 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.91 47.32 4.1 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -121.58 136.04 54.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.43 147.82 30.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.4 mt -111.12 119.86 44.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 70.7 5.28 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.55 44.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.574 1.171 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -160.0 156.51 27.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.635 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 77.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.52 66.66 1.66 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.06 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.95 144.17 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.0 pt -101.15 159.62 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.44 -167.27 19.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.12 137.77 53.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -141.45 161.66 37.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -69.45 103.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.57 -57.35 4.05 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -140.69 145.07 36.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mt -110.43 106.23 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.449 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 2.9 mm? -40.4 150.87 0.26 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.46 36.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 40.67 29.73 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.42 -172.89 49.38 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 25.9 m -78.28 -54.8 5.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.995 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.414 ' O ' ' OG1' ' A' ' 65' ' ' THR . . . -57.16 -23.9 50.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -80.67 -17.97 49.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.246 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 65' ' ' THR . 1.9 pt20 -81.41 -44.98 16.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 64' ' ' GLN . 19.4 p -38.77 -40.0 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 110.364 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.23 -41.12 3.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -66.49 -64.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 0.782 . . . . 0.0 109.289 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.433 ' CD1' HD11 ' A' ' 103' ' ' ILE . 3.0 mm? -41.02 126.53 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.0 mmm -138.08 141.52 40.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.35 143.42 18.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.73 -29.17 8.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.145 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.4 mmm -52.88 139.59 26.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 0.789 . . . . 0.0 111.053 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -86.42 127.09 34.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -100.27 109.66 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.03 -53.94 15.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -135.72 167.06 21.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.521 ' CZ3' ' HB ' ' A' ' 103' ' ' ILE . 11.2 t-105 -145.6 124.0 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 54.8 33.26 19.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.37 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.29 -43.02 3.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.464 ' CG2' HD13 ' A' ' 93' ' ' ILE . 5.1 mp -67.78 123.33 86.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 18.3 Cg_endo -74.98 142.5 27.99 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.431 HD11 ' C ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -124.08 19.73 9.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.1 m -87.73 142.83 27.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.27 30.15 15.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.422 ' HG3' ' C ' ' A' ' 82' ' ' LEU . 2.7 mmtt -112.94 -160.68 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 p -123.71 150.81 43.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -39.46 -53.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -64.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' VAL . 48.0 mt-10 -41.92 -67.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 110.342 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.422 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 37.8 t -39.91 -58.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.379 1.049 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -46.68 -59.11 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -43.43 -42.93 4.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.464 HD13 ' CG2' ' A' ' 80' ' ' ILE . 30.0 mt -64.12 -40.83 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.506 HG21 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -77.77 -68.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.524 ' O ' ' C ' ' A' ' 96' ' ' GLN . 10.4 t 38.84 62.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.524 ' C ' ' O ' ' A' ' 95' ' ' SER . 1.5 pt20 28.48 63.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -40.37 115.56 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.265 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.2 143.08 19.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.54 -162.13 25.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 3.3 tt0 -54.82 148.97 12.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -148.62 119.02 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.33 135.87 39.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.521 ' HB ' ' CZ3' ' A' ' 77' ' ' TRP . 2.3 tt -121.73 137.7 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 81.4 m -116.49 106.65 13.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 108.274 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.496 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -122.34 163.23 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.496 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 67.6 ttt180 -98.04 149.16 22.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.4 mt -78.37 -69.91 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -66.39 -176.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.7 tt 71.35 -79.54 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 0.0 109.211 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' MET . 37.6 t-20 43.75 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.5 mtt -37.32 -40.96 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.6 t 50.93 99.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.034 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -113.44 -167.89 16.71 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 177.28 8.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 41.3 t -155.49 -58.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.18 168.44 19.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.7 -58.62 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 110.013 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.4 168.57 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.98 -145.72 15.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.125 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -143.0 162.78 34.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 0.789 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.55 163.02 34.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.54 147.99 7.77 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.147 . . . . 0.0 110.999 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -165.2 -81.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.738 . . . . 0.0 109.523 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.74 ' CD1' ' CZ ' ' A' ' 11' ' ' PHE . 2.2 m-85 -111.68 145.87 38.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 pt -56.83 -27.17 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.74 ' CZ ' ' CD1' ' A' ' 9' ' ' TYR . 4.5 p90 -111.31 160.94 27.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.63 5.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.47 169.47 17.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.628 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.62 135.69 30.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -107.92 91.44 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.418 ' CD1' ' HD3' ' A' ' 67' ' ' LYS . 2.4 mp -103.47 156.1 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -104.4 162.86 12.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.7 mt -129.28 123.16 57.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.65 141.4 39.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -62.94 -62.75 1.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t70 53.18 88.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 p -127.12 156.16 42.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.7 102.71 9.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 55.84 98.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 109.329 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -172.51 123.81 0.47 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.617 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 27' ' ' VAL . 4.5 t -55.59 179.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.435 ' N ' ' OG1' ' A' ' 26' ' ' THR . 0.2 OUTLIER -121.42 103.92 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 t -164.95 81.72 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . . . 83.17 -145.69 23.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 70.4 -63.6 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 0.723 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . 74.04 -137.9 23.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 99' ' ' GLY . 2.3 mm? -84.84 -56.14 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.225 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.84 41.51 0.37 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.478 HD11 ' CB ' ' A' ' 62' ' ' ALA . 5.3 tt -135.96 131.13 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.408 0.71 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HG3' ' CD1' ' A' ' 57' ' ' LEU . 4.6 mtt180 -101.44 105.24 16.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.5 mt -108.4 120.25 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.732 ' CG2' ' CD1' ' A' ' 52' ' ' TYR . 4.5 m -73.93 -156.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.477 ' HA3' ' CG2' ' A' ' 90' ' ' VAL . . . 170.7 155.88 10.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.89 4.86 56.22 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.53 131.97 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -41.23 151.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.573 1.171 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 42.6 mt -113.09 140.28 24.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 137.76 22.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.46 -53.49 3.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -40.15 144.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.61 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -75.9 92.68 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.48 76.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -143.85 148.78 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.4 pt -106.5 144.66 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.065 . . . . 0.0 109.24 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.96 -157.49 7.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -129.85 137.32 50.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.732 ' CD1' ' CG2' ' A' ' 37' ' ' VAL . 14.2 p90 -132.28 142.81 49.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.401 ' CG2' ' HA ' ' A' ' 70' ' ' GLU . 65.3 mt -55.03 109.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.17 -55.92 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 15.4 tptt -164.77 129.43 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.43 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 3.6 mt -76.09 81.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.434 ' CD1' ' HG3' ' A' ' 35' ' ' ARG . 1.4 mp -40.18 152.81 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.06 -57.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . 113.86 3.94 23.1 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.72 -54.44 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.965 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.478 ' CB ' HD11 ' A' ' 34' ' ' ILE . . . -98.33 -29.48 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -66.14 -18.56 65.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.218 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 65' ' ' THR . 1.1 mt-30 -80.1 -54.23 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 64' ' ' GLN . 80.1 p -37.07 -48.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.52 -39.92 3.09 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.418 ' HD3' ' CD1' ' A' ' 16' ' ' ILE . 3.8 tttp -59.75 -19.04 47.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.224 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 68' ' ' LEU . 1.2 mm? -90.86 121.96 33.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.375 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.8 mtp -138.52 136.27 35.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.401 ' HA ' ' CG2' ' A' ' 53' ' ' ILE . 15.9 mt-10 -46.68 157.42 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.09 -5.13 67.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.9 mmm -81.86 127.44 33.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 0.716 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -79.2 109.3 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 51' ' ' ALA . 3.5 t -71.45 120.79 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.7 mt -77.22 -54.08 6.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -143.0 157.95 44.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.383 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.567 ' CE3' HD13 ' A' ' 103' ' ' ILE . 69.2 t-105 -133.95 134.02 42.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.06 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.54 ' OD1' ' CD1' ' A' ' 80' ' ' ILE . 17.9 p30 43.62 28.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 89.24 -34.8 3.85 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.54 ' CD1' ' OD1' ' A' ' 78' ' ' ASN . 8.5 mt -68.73 127.15 93.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.06 37.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.461 ' CD2' HG23 ' A' ' 93' ' ' ILE . 13.6 mt -110.96 -25.14 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 46.1 m -62.69 144.83 55.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.367 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.2 t 70.37 29.72 3.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -131.12 -174.31 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.1 p -115.48 144.14 44.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.472 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.589 ' CE2' ' HB ' ' A' ' 37' ' ' VAL . 42.5 t80 -37.49 -54.77 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.45 -56.95 12.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.24 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' N ' ' CD ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -52.67 -58.97 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.225 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 37' ' ' VAL . 92.4 t -47.73 -52.03 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.185 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.48 -43.84 8.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -34.4 76.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.072 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' VAL . 66.6 mt -68.24 -33.96 63.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.563 ' CD1' ' N ' ' A' ' 94' ' ' ILE . 0.4 OUTLIER -85.01 -56.29 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.35 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.22 57.03 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.059 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -178.28 81.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -136.14 -179.98 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -127.27 59.12 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.953 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.488 ' O ' ' CD1' ' A' ' 32' ' ' LEU . . . 98.01 -105.93 3.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.13 . . . . 0.0 111.048 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -176.05 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 0.742 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.439 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . . . -178.91 151.27 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -111.89 138.85 47.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.567 HD13 ' CE3' ' A' ' 77' ' ' TRP . 2.6 tt -124.76 150.77 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 77.2 m -134.61 88.88 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 108.286 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 m -103.43 156.37 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.405 ' NE ' ' O ' ' A' ' 108' ' ' ASP . 45.6 ttt180 -99.53 133.25 44.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 19.2 mt -57.79 -69.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -68.99 103.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.43 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 2.0 mt 168.16 158.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -174.97 107.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.2 mtt -82.76 114.25 20.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.1 t -60.37 142.05 55.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -144.96 158.08 27.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 178.51 7.17 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.58 144.05 25.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.5 t -79.35 103.93 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.064 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 74.47 -66.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.963 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.7 -59.43 2.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.947 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.75 111.04 2.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.75 137.98 24.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.42 99.47 9.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.59 139.21 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.621 1.201 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.422 ' CE1' ' O ' ' A' ' 9' ' ' TYR . 2.9 t60 -165.52 131.65 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 109.64 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.615 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 9.9 m-85 -79.02 159.38 27.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -57.46 -44.27 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.615 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 27.4 p90 -77.29 161.4 72.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.8 5.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.575 1.829 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.22 163.21 29.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.644 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.24 115.93 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 10.3 mtp-105 -104.21 85.83 2.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 16' ' ' ILE . 4.9 mp -124.19 123.88 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.08 134.65 35.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.24 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.534 ' CG2' ' HB2' ' A' ' 61' ' ' SER . 4.4 mt -73.59 118.02 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.68 126.12 47.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.41 131.56 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.327 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.06 159.6 30.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.2 p -122.21 169.62 10.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.947 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.17 101.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 52.98 100.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -175.86 69.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.589 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 m -112.09 129.85 56.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.4 m -125.38 -51.81 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.2 163.93 5.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.84 -119.33 5.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.601 1.188 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.88 -46.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 0.79 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.68 -148.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.437 1.086 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt -88.55 137.33 32.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.9 70.25 0.59 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.04 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.416 ' CD1' HD13 ' A' ' 18' ' ' ILE . 8.9 tt -146.39 131.25 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -110.58 131.04 55.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.358 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -139.18 134.71 41.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.5 t -118.89 120.35 63.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.213 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.36 -179.61 46.69 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.67 49.54 77.43 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -128.27 130.09 47.36 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -58.14 139.33 55.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.4 mt -92.75 133.87 28.57 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 69.79 5.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.51 -73.41 0.15 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -39.88 150.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 0.739 . . . . 0.0 109.593 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 m -71.22 98.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.18 75.2 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -139.88 145.55 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.795 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.4 pt -100.5 151.4 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.12 -156.63 7.47 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.29 153.3 41.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -155.43 160.84 40.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.459 HD12 ' CB ' ' A' ' 72' ' ' MET . 5.7 mt -77.14 112.28 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.14 -53.65 54.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 6.0 tptm -170.98 125.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.482 ' CD1' ' HG ' ' A' ' 68' ' ' LEU . 3.4 mt -60.27 109.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -39.78 153.45 0.19 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.97 102.16 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.7 34.62 89.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.79 -147.42 18.91 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.534 ' HB2' ' CG2' ' A' ' 18' ' ' ILE . 40.9 p -81.02 -44.63 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.98 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.48 ' CB ' HD21 ' A' ' 68' ' ' LEU . . . -58.27 -43.24 87.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.71 -29.29 63.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -61.37 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.2 p -51.37 -33.07 28.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.32 27.13 39.08 Favored Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.28 -4.74 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 0.807 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.482 ' HG ' ' CD1' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -123.94 162.87 22.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.446 ' CG ' ' HG3' ' A' ' 72' ' ' MET . 2.8 ptt? -139.58 -179.63 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.08 163.28 26.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 111' ' ' MET . . . 57.78 21.28 43.3 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.569 1.168 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.459 ' CB ' HD12 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -84.82 95.26 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 111.031 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -42.38 110.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.9 t -81.27 110.2 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 104' ' ' CYS . 5.9 mt -71.24 -56.62 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -138.75 152.12 47.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.448 ' CE2' HG23 ' A' ' 94' ' ' ILE . 34.4 t-105 -132.53 109.5 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 108.034 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 61.67 30.25 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.2 -49.46 1.71 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.602 1.189 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.466 ' CG2' HD12 ' A' ' 93' ' ' ILE . 5.2 mp -60.38 125.99 83.32 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.31 42.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.3 mt -122.26 35.35 4.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.4 m -107.55 140.97 39.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.411 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.0 t 61.98 39.69 13.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.049 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.4 mmtm -125.67 -169.98 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.3 p -128.87 165.46 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -43.9 -66.73 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLU . 1.3 mt-10 -44.8 -69.18 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 90' ' ' VAL . 11.2 mt-10 -38.14 -72.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.229 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' GLU . 61.1 t -40.04 -60.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 95' ' ' SER . 1.1 tt0 -40.8 -63.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.84 -53.6 2.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.466 HD12 ' CG2' ' A' ' 80' ' ' ILE . 35.6 mt -51.45 -43.78 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -74.63 -60.26 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -38.1 -43.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.26 110.58 15.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.99 179.96 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 m -173.08 118.71 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . 68.68 111.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.419 1.074 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 99' ' ' GLY . 17.9 pm0 44.39 -171.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.01 143.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.27 133.08 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.261 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.455 HG23 ' CD1' ' A' ' 18' ' ' ILE . 9.7 tt -133.0 123.32 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 75' ' ' LEU . 6.6 m -109.36 107.61 17.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.415 ' CG2' ' SD ' ' A' ' 72' ' ' MET . 21.1 m -114.54 172.95 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -115.4 117.66 31.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.5 mt -53.2 -58.13 8.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -53.63 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.93 132.19 5.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -151.48 89.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLY . 5.1 mtt -53.89 132.0 41.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.76 87.8 7.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.33 140.87 15.26 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -179.43 4.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.98 140.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 35.8 p -138.5 110.39 7.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 1.082 . . . . 0.0 110.027 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.12 . . . . 0.0 111.065 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -171.34 144.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 0.0 110.037 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.21 150.29 22.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . 141.96 -96.17 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.558 1.161 . . . . 0.0 110.941 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 2.4 t 78.75 -57.84 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.422 0.719 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.23 86.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.048 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.83 92.01 0.51 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -151.01 121.4 7.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.56 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.756 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -60.97 173.03 0.84 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.51 1.131 . . . . 0.0 110.951 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.58 -16.86 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.756 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 10.8 p90 -109.39 162.6 19.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 120.47 6.09 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -137.21 173.5 11.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.625 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.25 135.87 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.41 ' NH1' ' OE2' ' A' ' 102' ' ' GLU . 5.9 mtp-105 -109.04 87.77 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mm -98.74 131.47 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.95 159.78 16.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.384 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mt -128.52 120.97 54.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.586 1.179 . . . . 0.0 109.373 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.82 144.72 30.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.435 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.417 ' HG3' ' CD1' ' A' ' 32' ' ' LEU . 2.4 ttt-85 -88.11 120.72 29.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -179.1 -67.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.83 106.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 tttt 43.79 86.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -81.1 114.84 20.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -158.65 -57.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 109.632 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 t -161.1 -48.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.4 m -51.78 144.72 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.37 146.58 29.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.926 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.11 -66.4 0.51 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -84.56 136.33 33.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 0.772 . . . . 0.0 109.345 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.49 -96.13 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.417 ' CD1' ' HG3' ' A' ' 20' ' ' ARG . 6.9 mp -42.02 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.17 81.61 0.1 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.492 1.12 . . . . 0.0 110.934 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.1 tt -154.18 129.13 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 115.35 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 37' ' ' VAL . 88.9 mt -117.75 138.67 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.403 ' N ' HG22 ' A' ' 36' ' ' ILE . 35.1 t -118.16 118.71 59.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.97 -163.8 39.28 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.442 1.089 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.13 51.21 2.77 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.556 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -124.48 129.59 50.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.71 134.47 51.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.2 mt -98.04 128.69 32.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.87 11.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.792 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.51 -34.8 4.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.55 142.47 30.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.559 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.2 -38.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.98 80.18 0.04 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -129.52 140.32 51.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 0.806 . . . . 0.0 110.251 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.2 pt -91.36 149.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.361 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.16 -155.42 7.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.944 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.27 146.89 47.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.556 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 28.5 p90 -146.92 162.66 38.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 8.3 mt -78.04 102.97 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.68 -57.84 9.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.255 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -157.13 137.68 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.39 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.601 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 79.2 mt -92.16 130.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.91 150.11 30.22 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 129.95 12.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.1 40.38 95.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.63 172.6 20.33 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.84 -35.31 74.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 0.8 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.24 -38.03 87.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.98 -30.72 44.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -63.97 -44.39 92.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.355 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 64.6 p -39.75 -36.95 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.52 25.54 63.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.75 -43.87 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.613 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -67.61 164.72 18.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.545 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 11.9 mtt -152.56 118.1 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -40.82 149.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.54 11.96 84.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.45 108.14 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -50.2 121.15 5.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.421 HG23 ' CD1' ' A' ' 103' ' ' ILE . 99.5 t -85.12 109.63 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 104' ' ' CYS . 2.7 mt -70.69 -55.62 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -137.08 164.77 27.63 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.48 1.112 . . . . 0.0 110.348 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 101' ' ' ALA . 6.9 t-105 -145.27 109.11 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 58.3 32.88 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.37 -56.05 1.06 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.465 HG21 ' CD1' ' A' ' 93' ' ' ILE . 5.0 mp -57.54 124.12 65.95 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.434 0.726 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 149.62 36.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.45 ' CD2' HG21 ' A' ' 93' ' ' ILE . 40.9 mt -111.84 31.7 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.7 m -110.59 140.14 45.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p 69.15 30.77 4.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -122.94 -176.95 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 71.8 p -121.77 156.91 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -37.66 -61.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLU . 5.5 mt-10 -49.56 -69.32 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' GLU . 48.7 mt-10 -38.84 -64.01 0.48 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.433 1.083 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 93' ' ' ILE . 62.7 t -46.57 -58.25 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 95' ' ' SER . 4.3 tt0 -41.89 -41.0 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -41.26 93.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.979 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 90' ' ' VAL . 62.5 mt -63.44 -35.96 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.431 ' HA ' ' NE1' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -81.54 -59.96 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 91' ' ' GLN . 4.6 t -39.64 153.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 77.41 -170.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 71.73 63.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.229 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.8 p -81.65 74.23 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.052 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 100' ' ' GLU . . . 176.5 41.7 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.519 1.137 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 0.1 OUTLIER 89.34 168.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.254 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 77' ' ' TRP . . . -160.72 161.24 32.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' OE2' ' NH1' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -121.75 139.63 53.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.421 ' CD1' HG23 ' A' ' 74' ' ' VAL . 11.2 tt -128.52 130.9 69.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' LEU . 43.6 m -113.98 103.98 11.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 108.28 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.5 m -109.01 179.79 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.448 ' NH2' ' CE2' ' A' ' 11' ' ' PHE . 22.6 ttm180 -120.53 109.2 14.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.1 mt -47.67 -60.68 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.58 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.57 172.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 110' ' ' ASN . 1.1 p30 -179.54 38.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.453 ' O ' ' CB ' ' A' ' 112' ' ' SER . 6.1 mmt 37.56 84.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 111' ' ' MET . 0.4 OUTLIER 81.5 -69.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 169.35 -174.83 43.76 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 104.63 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.1 151.9 44.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.7 t -128.25 162.93 25.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -171.9 122.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.942 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -125.32 134.12 52.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.69 -77.29 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -176.46 104.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.048 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.51 148.99 38.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.63 -178.02 37.69 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.547 1.154 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -128.77 -170.24 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.521 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.703 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 17.4 m-85 -59.42 169.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.059 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.9 pt -74.66 -27.75 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.703 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 8.2 p90 -91.69 161.63 33.5 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.457 1.098 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.55 6.64 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.4 171.59 14.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.61 110.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -85.86 123.63 31.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mp -120.18 157.48 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.38 135.27 51.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.8 mm -88.19 114.82 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.32 128.68 50.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -83.46 148.6 27.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.234 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -89.94 165.44 14.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.33 96.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.23 142.92 25.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.227 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -152.18 100.11 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.64 85.75 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.644 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.5 m 63.78 153.21 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.5 m -51.6 -31.7 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.16 -91.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.924 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.24 -77.6 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -95.36 131.67 41.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 0.803 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.63 -169.42 31.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.423 1.077 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mt 57.24 177.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.251 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' CA ' ' HG ' ' A' ' 57' ' ' LEU . . . -140.41 90.59 0.19 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.5 tt -154.2 132.41 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.471 0.748 . . . . 0.0 109.352 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -108.47 106.9 17.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.2 mt -113.32 130.01 68.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 55.7 t -105.91 114.15 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.27 -172.37 46.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.38 25.21 8.13 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -99.6 134.66 42.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG2' ' NE2' ' A' ' 45' ' ' HIS . 9.3 tt0 -57.23 125.65 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.611 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 43.3 mt -73.05 141.9 81.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.44 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.06 59.12 5.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.23 93.83 0.73 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.611 ' CD2' ' O ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -160.14 -179.51 7.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 109.633 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.23 54.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.32 72.09 1.05 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.155 . . . . 0.0 110.954 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 2.8 tp10 -139.37 -152.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 110.235 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.455 ' CG2' ' O ' ' A' ' 48' ' ' GLU . 1.6 pt -171.71 135.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.39 -171.44 12.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -118.4 154.12 32.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 0.721 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE1' ' HB ' ' A' ' 37' ' ' VAL . 19.3 p90 -146.15 155.03 42.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.7 mt -72.34 95.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.078 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.46 -59.53 4.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 9.5 tptm -156.36 127.69 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.633 ' CD1' ' CD1' ' A' ' 68' ' ' LEU . 13.6 mt -80.12 135.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' HG ' ' CA ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -53.73 157.16 4.11 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 112.97 3.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.417 1.746 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.98 50.67 63.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.81 -163.21 26.93 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.5 m -74.84 -48.85 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.963 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.402 ' O ' ' OG1' ' A' ' 65' ' ' THR . . . -59.08 -30.45 68.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -79.76 -29.58 40.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' THR . 1.9 mt-30 -64.63 -45.54 86.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 64' ' ' GLN . 68.8 p -38.01 -53.6 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.04 16.44 80.68 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.22 -41.35 2.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 0.789 . . . . 0.0 109.293 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.633 ' CD1' ' CD1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -63.93 167.32 6.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.546 ' N ' ' CD2' ' A' ' 68' ' ' LEU . 44.6 mtt -157.18 126.01 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 111.065 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -46.76 149.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.25 2.25 90.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.04 113.32 20.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -59.77 106.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.9 t -72.48 109.58 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.6 mt -65.97 -59.27 3.99 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -138.41 164.83 28.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.522 ' CG ' HG21 ' A' ' 94' ' ' ILE . 5.1 t-105 -143.56 114.57 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.021 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 64.08 29.5 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.89 -49.85 1.76 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.6 mp -62.03 122.57 73.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.747 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 143.78 29.46 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.452 1.764 . . . . 0.0 111.043 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.3 mt -105.29 26.72 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.9 m -99.18 132.75 44.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.441 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t 69.85 30.52 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.013 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -113.04 -174.45 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' TYR . 48.3 p -119.5 152.13 37.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' THR . 11.9 t80 -37.24 -57.29 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -52.89 -67.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 90' ' ' VAL . 67.0 mt-10 -38.84 -70.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 89' ' ' GLU . 46.4 t -38.81 -59.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.506 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -52.6 -46.26 66.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -37.49 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.81 -60.19 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.522 HG21 ' CG ' ' A' ' 77' ' ' TRP . 1.3 pt -57.01 -43.46 81.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 91' ' ' GLN . 71.8 m -69.04 -176.93 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.954 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 41.13 91.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.235 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -151.58 140.07 20.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -46.92 -60.82 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.028 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.72 -133.14 1.48 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.432 1.083 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.98 145.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.82 154.99 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.32 132.84 43.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.7 tt -124.38 131.0 73.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 15.6 t -106.02 112.99 26.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.265 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 m -111.29 158.91 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 107' ' ' LEU . 42.7 ttt180 -109.81 111.12 22.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 106' ' ' ARG . 10.6 mt -39.97 -59.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 1.6 t0 -82.37 156.36 24.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.488 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.3 OUTLIER 87.33 119.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -139.05 136.96 35.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.3 mtt -85.01 -52.63 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.22 151.11 51.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.032 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -175.6 157.3 23.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -46.84 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.56 1.821 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.86 131.73 47.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.041 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.16 148.83 42.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.012 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.75 143.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 0.726 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m 59.3 155.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.02 -126.36 0.73 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 t -124.45 161.82 25.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 0.754 . . . . 0.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -95.05 167.32 11.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.7 167.07 23.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.051 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 70.83 141.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 109.597 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.751 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 m-85 -76.65 153.73 34.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pp -67.69 -15.6 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.751 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 31.4 p90 -108.59 162.27 20.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 120.78 6.2 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.484 1.781 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.554 ' CE1' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -137.44 172.87 12.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.604 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.25 132.96 18.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.554 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 73.4 mtm180 -105.46 93.94 4.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.344 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.414 HD11 ' N ' ' A' ' 16' ' ' ILE . 3.1 mp -109.33 124.43 66.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -89.45 124.72 34.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.521 ' CG2' ' CB ' ' A' ' 61' ' ' SER . 3.5 mt -83.47 121.64 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.63 126.98 55.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.89 95.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -167.88 160.74 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.365 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.82 156.41 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.11 -53.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -65.19 107.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 51.5 95.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.591 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.6 m -50.37 117.42 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.41 HG23 ' CB ' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -40.95 -41.92 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t 70.19 108.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.984 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 42.1 93.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.41 ' CB ' HG23 ' A' ' 27' ' ' VAL . 0.6 OUTLIER 165.48 120.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.38 -146.71 1.54 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mp -53.83 -23.87 13.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 109.376 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 46.09 64.92 2.26 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.405 HD11 ' CB ' ' A' ' 62' ' ' ALA . 3.7 tt -129.9 135.23 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.308 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.29 108.93 17.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.2 mt -112.84 118.45 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.2 t -91.53 116.92 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.22 -178.14 40.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.404 1.065 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.91 48.94 36.9 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.16 138.03 53.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.51 138.25 57.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.1 mt -108.76 124.16 35.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 78.02 2.98 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.42 1.747 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.25 70.73 0.17 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.86 42.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.592 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.94 61.93 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.11 68.66 0.4 Allowed Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -116.31 144.35 44.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 0.818 . . . . 0.0 110.304 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 pt -99.17 140.33 18.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.94 -145.1 4.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.61 162.93 31.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.241 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.475 ' CB ' ' HA ' ' A' ' 73' ' ' GLN . 21.8 p90 -166.9 144.06 4.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.481 ' CG2' ' CG1' ' A' ' 56' ' ' ILE . 96.1 mt -55.95 127.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.55 -51.22 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 141.56 51.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.481 ' CG1' ' CG2' ' A' ' 53' ' ' ILE . 3.2 mt -133.6 80.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.34 154.93 2.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.05 145.28 31.07 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.92 -36.0 3.64 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.74 144.2 0.19 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.521 ' CB ' ' CG2' ' A' ' 18' ' ' ILE . 58.2 m -57.82 -24.91 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 0.0 110.081 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.405 ' CB ' HD11 ' A' ' 34' ' ' ILE . . . -70.26 -55.78 8.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -65.54 -30.06 70.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -58.77 4.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.3 p -47.88 -40.36 21.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.61 55.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -117.6 -41.81 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 0.809 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.459 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.1 mm? -68.22 157.21 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 68' ' ' LEU . 20.6 mtm -161.16 143.44 12.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.9 150.33 3.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.99 -2.72 87.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -83.65 121.06 26.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.475 ' HA ' ' CB ' ' A' ' 52' ' ' TYR . 23.3 tt0 -76.34 126.26 30.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.1 t -86.85 109.38 19.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 104' ' ' CYS . 5.9 mt -75.12 -59.39 2.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -130.69 151.99 50.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.402 ' NE1' ' HA ' ' A' ' 94' ' ' ILE . 15.9 t-105 -138.52 107.96 6.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 62.03 30.65 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.24 -52.79 1.21 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.466 1.104 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.471 HG22 ' CD1' ' A' ' 93' ' ' ILE . 4.3 mp -57.72 122.87 59.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.37 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 145.4 31.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.412 ' CD2' HG22 ' A' ' 93' ' ' ILE . 33.0 mt -109.26 28.32 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -104.06 139.31 39.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.365 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t 67.45 37.16 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.985 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -126.81 -170.64 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.2 p -128.54 161.21 30.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.17 . . . . 0.0 110.356 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -42.56 -52.26 4.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.07 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.58 -70.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.223 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 90' ' ' VAL . 5.1 mt-10 -39.92 -64.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.248 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.403 ' O ' ' HB ' ' A' ' 93' ' ' ILE . 45.4 t -40.59 -61.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 95' ' ' SER . 1.4 tt0 -39.16 -59.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.11 -50.65 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 80' ' ' ILE . 38.7 mt -54.35 -39.9 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.402 ' HA ' ' NE1' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -77.97 -63.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.24 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -49.31 154.82 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 69.88 102.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -165.17 162.98 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -72.49 -58.54 3.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -168.62 -85.63 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.78 169.05 6.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.428 0.722 . . . . 0.0 110.292 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.02 155.33 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.14 138.87 37.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.1 tt -129.99 122.58 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 75' ' ' LEU . 3.3 m -104.5 110.35 22.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 108.363 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 28.3 m -105.34 -169.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.532 ' CZ ' ' CB ' ' A' ' 109' ' ' LEU . 1.2 ttp180 -140.94 114.89 9.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.494 ' O ' ' O ' ' A' ' 108' ' ' ASP . 5.4 mt -58.61 -69.76 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 107' ' ' LEU . 34.3 t70 -42.38 169.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.532 ' CB ' ' CZ ' ' A' ' 106' ' ' ARG . 0.2 OUTLIER 77.54 -167.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 171.94 93.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 1.9 mmm -79.9 130.36 35.23 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 t 49.9 98.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.034 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -115.49 115.88 3.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.4 147.73 27.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.7 t -87.54 157.8 19.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.436 1.085 . . . . 0.0 111.035 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.79 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 33.4 m-85 . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.503 0.192 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.3 pt -78.47 -23.25 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.79 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 6.6 p90 -105.74 162.17 20.55 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 118.59 5.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -131.41 163.88 26.94 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.23 103.8 8.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.95 99.65 12.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 16' ' ' ILE . 4.1 mp -119.83 143.59 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -98.05 156.9 16.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 100' ' ' GLU . 3.5 mt -121.8 117.61 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.19 55.84 4.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 tt -129.01 127.63 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 53' ' ' ILE . 9.6 mmt180 -124.41 129.75 51.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.404 HG12 HG21 ' A' ' 74' ' ' VAL . 7.3 mt -137.18 133.08 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.597 HG22 ' CE2' ' A' ' 87' ' ' TYR . 10.5 t -107.71 129.9 60.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.505 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -99.47 179.87 30.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.26 43.85 98.85 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.44 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -127.01 127.63 45.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.24 141.75 45.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.433 HG23 ' HD2' ' A' ' 43' ' ' PRO . 20.5 mt -94.95 137.94 22.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.02 100.87 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.764 . . . . 0.0 111.073 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.92 -56.05 0.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.89 151.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.599 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.76 87.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.02 63.2 1.33 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -125.98 150.62 47.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.735 . . . . 0.0 110.311 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.6 pt -101.22 161.89 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.96 -162.81 14.3 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.83 138.27 53.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.44 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 38.3 p90 -135.42 151.62 50.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 72' ' ' MET . 29.8 mt -69.68 100.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.69 -58.43 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -161.17 175.18 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.04 138.14 55.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.44 164.54 18.89 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 98.7 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.92 58.65 10.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.6 -159.54 29.83 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.1 m -74.37 -39.41 62.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 0.793 . . . . 0.0 110.028 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.26 -48.65 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.51 -30.08 70.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.068 . . . . 0.0 110.254 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -44.93 36.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.25 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.3 p -57.71 -49.51 76.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.12 -34.86 5.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -65.72 -63.03 1.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 0.767 . . . . 0.0 109.351 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.411 HD11 HD13 ' A' ' 103' ' ' ILE . 2.6 mm? -44.5 131.22 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 3.5 ttt -137.34 152.27 49.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 69' ' ' MET . 1.6 mt-10 -67.26 145.41 55.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.03 23.59 61.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.515 ' HB2' HD12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -101.67 134.64 44.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -79.24 118.86 21.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.404 HG21 HG12 ' A' ' 36' ' ' ILE . 17.8 t -88.43 111.78 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.421 HD13 ' HE1' ' A' ' 11' ' ' PHE . 5.1 mt -66.34 -53.99 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -145.42 159.31 43.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.224 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.452 ' CE2' HG23 ' A' ' 94' ' ' ILE . 10.1 t-105 -134.71 123.75 24.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 107.984 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 56.35 29.87 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.01 -42.41 2.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.519 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.7 mp -65.5 125.86 90.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.51 36.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.607 HD22 HG13 ' A' ' 90' ' ' VAL . 48.8 mt -109.99 -18.21 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.592 1.182 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 52.5 m -61.48 135.36 57.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m 71.37 42.31 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -132.02 -156.77 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 p -137.92 152.22 48.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.597 ' CE2' HG22 ' A' ' 37' ' ' VAL . 10.1 t80 -38.38 -58.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.368 1.042 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.89 -66.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -40.09 -59.13 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.607 HG13 HD22 ' A' ' 82' ' ' LEU . 87.5 t -50.2 -61.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.39 -58.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -47.53 -48.11 27.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 90' ' ' VAL . 23.3 mt -56.78 -39.08 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.452 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -78.14 -61.87 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 91' ' ' GLN . 5.7 m -66.97 71.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.5 OUTLIER -179.05 70.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -169.6 109.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.8 m -89.25 83.51 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.13 -178.12 17.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -39.04 157.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.276 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.3 164.58 31.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.33 137.92 51.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.412 ' HB ' ' CE3' ' A' ' 77' ' ' TRP . 10.9 tt -127.97 145.4 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' LEU . 34.7 m -125.28 101.24 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -114.63 162.81 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 109.256 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.484 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 63.4 ttt180 -91.61 147.2 23.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 107' ' ' LEU . 13.5 mt -73.07 -80.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 94.8 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.465 HD13 ' H ' ' A' ' 110' ' ' ASN . 0.1 OUTLIER -177.77 136.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.465 ' H ' HD13 ' A' ' 109' ' ' LEU . 13.4 p-10 -149.59 121.72 8.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.534 0.206 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.401 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -89.69 -10.92 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -119.0 162.43 31.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 111.059 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 119.83 5.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.509 1.794 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.78 165.43 27.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.574 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.04 149.24 46.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.407 1.067 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.06 84.88 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -104.6 153.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -113.44 160.29 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 4.6 mt -116.22 115.61 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 128.68 71.97 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 tt -154.06 132.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.364 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -121.71 112.89 18.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.679 HD13 HG21 ' A' ' 74' ' ' VAL . 11.7 mt -127.71 133.71 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.603 HG13 ' HD2' ' A' ' 87' ' ' TYR . 39.5 t -105.26 117.09 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.09 166.54 29.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.89 10.54 86.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -87.43 146.0 26.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.366 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.06 132.84 41.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.581 HG23 ' HD2' ' A' ' 43' ' ' PRO . 24.5 mt -88.83 140.59 29.43 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.581 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.04 -62.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.22 -68.86 0.66 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -44.76 167.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.726 . . . . 0.0 109.554 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.59 -49.17 10.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.14 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.85 91.49 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -158.97 148.07 18.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.493 HD12 ' O ' ' A' ' 85' ' ' LYS . 5.3 pt -97.81 149.65 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.75 -168.73 23.05 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.451 1.095 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.667 ' HB1' HG22 ' A' ' 36' ' ' ILE . . . -118.94 151.16 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.667 ' C ' HG23 ' A' ' 36' ' ' ILE . 27.6 p90 -151.54 143.55 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.529 HD12 ' HB2' ' A' ' 72' ' ' MET . 67.9 mt -58.11 120.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.95 -52.22 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -141.65 140.46 33.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.449 ' CG1' HG21 ' A' ' 53' ' ' ILE . 3.2 mt -114.1 114.81 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mt -40.61 157.43 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 109.16 2.87 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.484 1.781 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.47 21.58 42.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.74 -159.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.471 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 74.4 m -77.27 -41.05 42.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.11 -34.74 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.89 -30.49 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.42 -51.35 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.9 p -46.51 -53.28 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.31 -32.37 5.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -10.87 57.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -97.19 164.0 12.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.438 ' CG ' ' O ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -172.31 154.29 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.43 157.9 30.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.77 -6.23 75.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.529 ' HB2' HD12 ' A' ' 53' ' ' ILE . 2.8 mmt -78.03 140.54 39.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -91.64 115.42 28.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.679 HG21 HD13 ' A' ' 36' ' ' ILE . 39.7 t -75.31 110.41 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.88 -57.87 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.228 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -137.3 155.94 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.656 ' CD2' HG22 ' A' ' 94' ' ' ILE . 6.0 t-105 -136.57 112.24 9.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 107.983 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 56.92 34.89 25.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.45 -46.17 2.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.098 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.543 ' CG2' HD13 ' A' ' 93' ' ' ILE . 2.7 mp -60.63 119.4 43.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 142.46 28.06 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.974 HD22 HG13 ' A' ' 90' ' ' VAL . 86.4 mt -98.71 -15.13 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' A' ' 84' ' ' SER . 23.4 m -69.15 127.35 32.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 110.396 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 83' ' ' THR . 0.2 OUTLIER 81.13 32.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.493 ' O ' HD12 ' A' ' 49' ' ' ILE . 3.5 mmmt -124.85 -174.82 3.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 57.1 p -121.67 156.45 33.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.343 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.603 ' HD2' HG13 ' A' ' 37' ' ' VAL . 24.0 t80 -39.11 -63.52 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.37 1.044 . . . . 0.0 111.028 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.76 -66.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -39.96 -71.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.546 1.154 . . . . 0.0 110.351 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.974 HG13 HD22 ' A' ' 82' ' ' LEU . 52.0 t -40.92 -63.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.531 ' HA ' HD11 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -46.29 -47.89 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -35.69 77.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.543 HD13 ' CG2' ' A' ' 80' ' ' ILE . 89.4 mt -72.48 -60.21 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.87 HD13 HG12 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -57.26 -34.4 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 91' ' ' GLN . 41.6 m -83.31 179.71 7.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 43.66 60.49 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -126.86 133.48 50.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 t -102.78 142.18 34.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.72 171.18 2.57 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.441 1.088 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -40.6 160.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 0.731 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -138.99 151.14 46.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -107.16 136.4 47.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 tt -128.86 138.96 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 4.0 m -118.47 109.41 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 74' ' ' VAL . 15.9 m -118.39 162.72 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.47 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 22.8 ttt180 -90.24 141.96 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 107' ' ' LEU . 16.2 mt -71.25 -61.83 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.388 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -93.49 88.8 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -177.13 124.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -133.19 141.22 47.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.589 0.233 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pp -59.32 -31.73 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -100.49 161.39 24.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 132.1 15.1 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.552 1.817 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.35 168.23 20.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.96 128.81 20.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -103.82 92.35 4.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.13 141.72 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -101.96 156.37 17.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.786 HD11 HD12 ' A' ' 103' ' ' ILE . 4.6 mt -127.33 119.43 52.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.457 ' HA ' ' CB ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.667 ' CD1' ' HB3' ' A' ' 101' ' ' ALA . 16.9 mt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 38.85 67.9 0.52 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.498 HD12 ' HB1' ' A' ' 62' ' ' ALA . 12.4 tt -155.02 140.95 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -114.98 104.95 12.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -113.47 116.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 55.9 t -93.81 122.83 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.31 173.64 24.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.45 30.37 77.4 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.501 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -103.19 138.14 40.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.17 138.69 58.43 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.539 HD11 ' HA3' ' A' ' 50' ' ' GLY . 13.1 mt -107.76 139.97 21.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.95 -72.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.544 1.813 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.14 -50.89 5.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.17 138.75 58.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 0.754 . . . . 0.0 109.6 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -64.13 85.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.02 74.11 0.17 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -139.45 138.51 36.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 85' ' ' LYS . 6.8 pt -79.64 157.39 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.539 ' HA3' HD11 ' A' ' 42' ' ' ILE . . . -167.31 -152.06 7.25 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 37' ' ' VAL . . . -137.13 148.82 46.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 0.801 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 18.7 p90 -151.21 148.11 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.583 HD12 ' HB2' ' A' ' 72' ' ' MET . 3.9 mt -61.34 107.41 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.26 -56.03 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -138.83 143.0 38.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.138 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mt -110.7 106.48 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -41.19 150.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.4 Cg_endo -75.03 137.77 22.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 37.22 52.96 1.67 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.58 -165.8 24.45 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.47 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 68.4 m -77.28 -33.63 55.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.062 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.498 ' HB1' HD12 ' A' ' 34' ' ' ILE . . . -72.4 -48.71 39.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.13 -27.26 67.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -48.96 66.13 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.418 1.074 . . . . 0.0 110.278 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.2 p -51.54 -45.09 62.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.382 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.2 11.59 85.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -109.11 -24.77 11.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.37 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -80.42 144.99 32.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.5 mmt -143.21 151.84 41.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.53 150.25 47.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.05 -35.66 3.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.145 . . . . 0.0 110.961 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.583 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.8 mmm -45.46 135.38 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.458 ' OE1' ' CG2' ' A' ' 42' ' ' ILE . 36.0 tt0 -91.18 114.53 27.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.71 109.63 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' CYS . 3.1 mt -65.18 -58.53 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -137.95 155.85 48.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.593 ' CE3' HG13 ' A' ' 103' ' ' ILE . 15.5 t-105 -127.14 121.89 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 108.076 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.471 HD22 ' CB ' ' A' ' 101' ' ' ALA . 3.5 m120 53.06 29.98 8.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.64 -37.76 3.32 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.662 ' H ' HD12 ' A' ' 80' ' ' ILE . 4.2 mp -69.79 126.9 92.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.69 43.29 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.442 1.759 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.869 HD22 HG13 ' A' ' 90' ' ' VAL . 78.6 mt -118.17 -2.53 11.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.386 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.427 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.9 m -76.67 129.37 36.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 83' ' ' THR . 0.4 OUTLIER 80.49 35.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.72 ' O ' HD12 ' A' ' 49' ' ' ILE . 7.1 mmtt -130.31 -175.79 3.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.8 p -123.47 157.53 33.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -37.75 -58.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.375 1.047 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -50.86 -70.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLU . 2.4 mt-10 -38.85 -65.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.869 HG13 HD22 ' A' ' 82' ' ' LEU . 91.8 t -42.28 -59.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -41.85 -63.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -52.86 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mt -52.34 -43.34 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -74.74 -58.95 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -38.55 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -48.18 109.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.419 ' OE1' ' ND2' ' A' ' 78' ' ' ASN . 53.2 tp60 -160.67 -79.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.86 67.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.77 176.95 14.62 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.457 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -41.85 156.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 110.338 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.667 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . . . -153.61 158.49 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -102.92 169.75 8.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.786 HD12 HD11 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -145.97 152.33 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' LEU . 42.2 t -140.2 88.16 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.522 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -109.34 164.97 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.831 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 28.1 ttp180 -97.36 140.9 31.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 108' ' ' ASP . 48.6 mt -71.68 -99.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 107' ' ' LEU . 17.4 m-20 -43.67 166.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.831 HD22 ' CZ ' ' A' ' 106' ' ' ARG . 9.6 tt 69.1 159.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.211 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.594 ' N ' HD23 ' A' ' 109' ' ' LEU . 41.0 t30 -172.89 137.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.672 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 2.1 m-85 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.437 0.16 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 pp -68.43 -35.22 69.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.672 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 30.0 p90 -87.98 161.73 43.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.39 6.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -145.2 162.48 37.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.26 136.24 49.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.564 ' C ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -125.31 92.78 3.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.586 ' N ' HD12 ' A' ' 16' ' ' ILE . 4.3 mp -126.16 165.5 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.43 154.69 26.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.752 HD11 HG21 ' A' ' 103' ' ' ILE . 8.3 mm -104.31 117.5 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.522 ' HA3' HD12 ' A' ' 57' ' ' LEU . . . -78.66 72.29 2.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.604 HD12 ' HB2' ' A' ' 62' ' ' ALA . 11.9 tt -131.91 132.07 61.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -114.68 105.39 13.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' TYR . 75.0 mt -120.57 127.86 75.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -104.89 118.56 52.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.33 163.06 27.41 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.423 1.077 . . . . 0.0 111.062 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.71 51.63 24.23 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -123.2 141.85 51.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -65.83 133.97 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 15.3 mt -98.21 140.01 21.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.05 101.0 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.572 1.827 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.52 78.36 1.09 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -163.05 38.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.602 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.88 40.18 24.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.55 68.32 1.76 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -122.45 156.8 33.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 0.809 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 pt -103.82 160.03 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.33 -160.66 12.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.552 1.158 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.19 142.88 51.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.368 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 27.8 p90 -145.54 164.85 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.448 HG21 HG12 ' A' ' 56' ' ' ILE . 91.7 mt -81.57 116.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.64 -52.24 12.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -148.14 147.38 29.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.451 ' N ' ' CD ' ' A' ' 55' ' ' LYS . 3.4 mt -109.63 112.8 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.522 HD12 ' HA3' ' A' ' 33' ' ' GLY . 7.4 mt -54.54 162.65 1.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 125.56 9.43 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.479 1.779 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 44.13 35.63 3.67 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.28 178.02 53.07 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 m -55.49 -33.13 63.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.771 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 34' ' ' ILE . . . -79.19 -60.06 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.43 -27.14 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -38.93 69.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.474 HG21 HD13 ' A' ' 18' ' ' ILE . 43.2 p -63.12 -46.93 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.07 -39.79 3.08 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -12.78 60.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.783 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.51 HD11 HD13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -90.46 152.83 20.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.96 170.77 19.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.177 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -77.51 157.85 30.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.41 22.22 65.34 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.408 1.068 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.404 ' O ' ' HA ' ' A' ' 52' ' ' TYR . 13.8 mmm -93.43 126.77 38.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -81.58 116.37 21.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.2 t -86.71 111.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 104' ' ' CYS . 11.2 mt -63.22 -55.84 21.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.494 ' CG ' ' HA ' ' A' ' 81' ' ' PRO . 2.7 mt-10 -138.94 162.1 35.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.508 ' CE2' HG23 ' A' ' 94' ' ' ILE . 32.9 t-105 -139.04 119.08 13.39 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 60.11 29.67 19.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.92 -46.38 2.27 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.9 mp -64.47 124.48 86.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.0 109.37 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.494 ' HA ' ' CG ' ' A' ' 76' ' ' GLU . 18.7 Cg_endo -74.89 152.35 41.23 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.495 1.787 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.631 HD13 HG13 ' A' ' 90' ' ' VAL . 23.8 mt -114.81 9.98 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.239 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 84' ' ' SER . 30.8 m -84.8 122.14 28.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 83' ' ' THR . 3.0 t 84.25 33.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -123.14 -162.27 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.5 p -135.96 152.12 50.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.59 1.181 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -37.72 -57.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.75 -67.17 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.338 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -41.33 -64.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.665 HG12 HD11 ' A' ' 94' ' ' ILE . 71.1 t -43.87 -57.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.516 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.33 -52.53 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.91 -40.64 80.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.53 HG21 HD21 ' A' ' 82' ' ' LEU . 62.1 mt -62.44 -35.02 67.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.665 HD11 HG12 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -85.07 -66.03 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 91' ' ' GLN . 1.2 t -53.15 153.31 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.066 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 55.16 102.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.99 -163.32 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.33 73.57 0.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.941 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.5 -130.41 20.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 2.2 pp20? -53.33 -179.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.73 149.35 1.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.13 136.24 33.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.752 HG21 HD11 ' A' ' 18' ' ' ILE . 6.7 tt -121.97 112.57 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' LEU . 36.9 m -100.3 103.05 14.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -118.94 163.89 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.703 ' HD3' HD23 ' A' ' 109' ' ' LEU . 71.0 ttt180 -90.58 156.33 18.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 107' ' ' LEU . 11.8 mt -81.6 -85.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -70.14 86.74 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.703 HD23 ' HD3' ' A' ' 106' ' ' ARG . 0.3 OUTLIER -157.25 139.21 14.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.07 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.556 ' N ' HD13 ' A' ' 109' ' ' LEU . 2.9 t-20 -137.89 134.8 35.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 14.2 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.498 0.189 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.04 -25.45 27.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 30.5 p90 -96.6 161.66 25.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 125.37 9.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.397 1.735 . . . . 0.0 111.041 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -147.07 169.65 18.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.38 151.54 40.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 28.3 mtm105 -122.72 90.38 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.6 mp -96.93 156.0 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -116.08 130.86 57.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.396 1.06 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.582 HG22 HD22 ' A' ' 32' ' ' LEU . 4.0 mt -91.32 121.2 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.582 HD22 HG22 ' A' ' 18' ' ' ILE . 98.0 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.39 76.67 1.03 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 tt -151.0 137.75 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.7 109.9 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.585 HD13 HG21 ' A' ' 74' ' ' VAL . 72.5 mt -118.22 130.41 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.217 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.467 HG22 ' CE2' ' A' ' 87' ' ' TYR . 18.1 t -108.56 131.73 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.79 -171.19 25.46 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.89 36.13 49.69 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.508 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -114.02 137.94 51.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.34 142.36 58.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.506 HD13 ' NE2' ' A' ' 73' ' ' GLN . 22.3 mt -100.8 139.81 20.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.7 Cg_endo -74.92 -47.22 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.441 1.759 . . . . 0.0 111.034 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.81 -65.08 3.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -55.89 168.74 0.42 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 0.785 . . . . 0.0 109.576 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.4 m -109.44 121.24 44.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.973 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 39.69 65.89 0.82 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.03 139.5 23.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 110.228 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.537 HD12 ' O ' ' A' ' 85' ' ' LYS . 4.9 pt -98.71 150.76 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.7 -155.32 7.39 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.44 156.24 43.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 20.4 p90 -160.62 147.06 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.456 HD11 HD12 ' A' ' 68' ' ' LEU . 88.7 mt -56.54 113.02 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.83 -55.27 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -136.91 139.73 41.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LEU . 2.2 mt -107.32 108.98 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.494 1.122 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ILE . 1.2 mm? -40.22 152.69 0.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.1 Cg_endo -75.12 132.69 15.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 36.8 44.46 0.94 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.31 -174.73 40.5 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m -64.54 -32.75 74.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 0.763 . . . . 0.0 110.045 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.08 -61.96 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.94 -23.25 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -56.1 26.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.4 p -42.92 -54.89 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.421 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.24 -38.81 2.98 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -35.81 81.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.497 HD11 HG21 ' A' ' 103' ' ' ILE . 1.1 mm? -69.58 145.32 52.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.76 154.7 24.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.15 157.15 23.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.95 12.76 83.74 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.4 mmt -95.34 119.72 34.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.601 0.824 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.506 ' NE2' HD13 ' A' ' 42' ' ' ILE . 42.8 tt0 -71.19 116.37 11.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 110.353 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 36' ' ' ILE . 40.4 t -80.36 109.83 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.71 -55.41 6.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -140.16 151.13 45.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.655 ' CE2' HG23 ' A' ' 94' ' ' ILE . 31.2 t-105 -128.46 114.22 16.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.442 HD22 ' CB ' ' A' ' 101' ' ' ALA . 6.3 m120 56.36 30.25 16.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.93 -52.67 0.9 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 80' ' ' ILE . 4.8 mp -59.39 126.51 82.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.467 ' O ' HD23 ' A' ' 82' ' ' LEU . 18.4 Cg_endo -75.0 155.78 42.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.593 1.838 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.504 HD13 HG13 ' A' ' 90' ' ' VAL . 58.5 mt -124.0 35.46 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -108.78 140.59 42.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.468 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.07 36.44 9.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.962 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.537 ' O ' HD12 ' A' ' 49' ' ' ILE . 4.2 mmtt -122.4 -157.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.374 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 90' ' ' VAL . 82.2 p -138.96 163.19 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.467 ' CE2' HG22 ' A' ' 37' ' ' VAL . 6.0 t80 -45.55 -62.6 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.0 -63.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -44.67 -64.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.504 HG13 HD13 ' A' ' 82' ' ' LEU . 84.1 t -45.39 -61.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 95' ' ' SER . 15.6 tt0 -41.46 -62.87 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.3 t -40.45 -51.12 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.057 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.563 HD13 ' CG2' ' A' ' 80' ' ' ILE . 29.4 mt -54.81 -42.87 64.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.655 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -75.09 -63.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -54.4 -169.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 78.42 -60.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.459 HE22 ' HB2' ' A' ' 101' ' ' ALA . 1.9 pt20 -70.52 147.34 49.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.99 101.94 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.919 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 147.66 -163.94 28.79 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.471 1.107 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 16.0 tt0 -49.55 152.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.594 0.82 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.459 ' HB2' HE22 ' A' ' 97' ' ' GLN . . . -163.07 162.6 25.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.76 134.64 54.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.497 HG21 HD11 ' A' ' 68' ' ' LEU . 6.5 tt -121.91 132.94 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 52.1 m -114.5 114.02 25.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.271 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.42 174.72 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.614 1.196 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.639 ' HD2' HD23 ' A' ' 109' ' ' LEU . 26.6 ttm180 -113.81 121.97 45.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.7 mt -52.9 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -76.63 82.48 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.716 HD13 ' H ' ' A' ' 110' ' ' ASN . 0.2 OUTLIER -167.31 148.72 5.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.716 ' H ' HD13 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -155.6 138.84 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.059 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.668 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 5.0 m-85 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.546 0.212 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.33 -10.15 13.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.668 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 8.4 p90 -115.87 163.22 21.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.96 5.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.563 1.822 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.08 174.79 10.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.97 150.42 29.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -123.33 95.1 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.7 mp -116.16 119.93 63.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 133.03 34.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 2.4 mt -76.78 119.72 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 110.445 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.74 87.34 1.97 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.574 HD12 ' HB1' ' A' ' 62' ' ' ALA . 4.9 tt -156.39 135.88 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.581 0.812 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.38 110.55 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.542 HD13 HG21 ' A' ' 74' ' ' VAL . 50.7 mt -117.3 130.51 72.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.02 122.51 61.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.55 179.29 38.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.437 1.086 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.47 47.98 72.94 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.527 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -124.16 127.44 47.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 0.81 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.88 137.8 37.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.5 mt -94.29 117.32 67.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 65.41 6.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.33 -50.87 0.09 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.486 1.116 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -68.59 176.39 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 109.605 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.33 87.57 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.03 73.97 0.23 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -137.32 141.2 41.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.09 144.58 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.23 -142.18 3.56 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.413 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -138.42 143.6 39.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.239 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 23.7 p90 -143.17 148.14 36.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.541 HD12 ' HB2' ' A' ' 72' ' ' MET . 6.1 mt -66.61 108.97 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.28 -55.76 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -137.19 147.95 46.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.437 HG22 ' CD ' ' A' ' 63' ' ' GLU . 2.5 mt -115.83 106.88 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 3.3 mm? -39.93 145.11 0.48 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 60' ' ' GLY . 18.2 Cg_endo -75.04 147.4 33.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 37.56 31.89 0.09 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 58' ' ' PRO . . . -86.38 -171.07 47.54 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.46 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 22.5 m -78.57 -41.44 31.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 110.017 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.574 ' HB1' HD12 ' A' ' 34' ' ' ILE . . . -67.24 -38.47 85.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' CD ' HG22 ' A' ' 56' ' ' ILE . 1.2 tp10 -73.69 -28.93 62.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -51.89 67.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -40.02 -53.48 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.2 -36.89 3.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -68.16 -25.4 65.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.79 140.02 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.1 mtm -155.21 157.86 37.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.3 146.21 54.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.04 6.57 69.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.413 1.07 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.541 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.3 mmt -88.59 123.54 33.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.402 ' NE2' HD23 ' A' ' 75' ' ' LEU . 12.7 tt0 -73.0 116.11 13.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.241 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.651 ' CG1' HD12 ' A' ' 82' ' ' LEU . 82.0 t -74.28 109.7 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.402 HD23 ' NE2' ' A' ' 73' ' ' GLN . 81.6 mt -77.43 -58.56 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 103' ' ' ILE . 0.7 OUTLIER -139.41 152.32 46.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.682 ' HE3' HD13 ' A' ' 103' ' ' ILE . 69.6 t-105 -131.46 117.08 18.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.575 ' N ' HD22 ' A' ' 78' ' ' ASN . 1.3 m-80 51.02 35.45 12.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.84 -45.33 2.33 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.639 HG22 HD13 ' A' ' 93' ' ' ILE . 3.4 mp -64.52 119.49 57.38 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -74.96 156.18 43.14 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.651 HD12 ' CG1' ' A' ' 74' ' ' VAL . 28.8 mt -121.19 39.61 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.2 m -105.15 128.03 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.393 1.058 . . . . 0.0 110.496 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 t 67.14 47.61 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -128.38 178.55 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.8 p -112.94 152.43 29.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -37.81 -57.55 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.183 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.84 -66.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -39.19 -66.7 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.227 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.537 HG13 HD22 ' A' ' 82' ' ' LEU . 46.1 t -43.44 -58.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.2 OUTLIER -45.98 -40.66 10.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.2 t -64.86 -35.76 82.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.639 HD13 HG22 ' A' ' 80' ' ' ILE . 68.3 mt -67.7 -34.99 71.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.59 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -84.81 -61.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 91' ' ' GLN . 2.5 t -38.77 137.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.07 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 74.22 94.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -134.61 153.77 51.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 m -124.07 134.05 53.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 46.62 -142.43 5.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.409 1.068 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.36 179.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.242 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -161.84 162.1 29.26 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.229 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.57 137.72 46.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.682 HD13 ' HE3' ' A' ' 77' ' ' TRP . 2.4 tp -135.77 154.15 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.633 ' H ' HD12 ' A' ' 103' ' ' ILE . 18.0 t -140.63 116.29 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.264 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.8 m -116.67 176.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.645 ' NH2' ' CZ ' ' A' ' 11' ' ' PHE . 27.7 ttm180 -118.58 114.51 22.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.361 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.4 mt -54.22 -68.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -41.07 -72.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.64 131.0 3.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.56 101.28 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.542 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 4.3 m-85 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.495 0.188 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -75.0 -26.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.542 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 23.5 p90 -99.89 161.25 24.95 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 127.72 10.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -145.53 172.63 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.615 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -154.0 152.63 30.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -117.93 83.91 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' A' ' 17' ' ' LYS . 2.9 mt -77.64 159.25 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -110.03 147.8 32.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 16.2 mm -104.99 117.16 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 110.357 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.2 mt . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 41.72 39.74 2.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.455 HD12 ' HB2' ' A' ' 62' ' ' ALA . 19.5 tt -131.45 136.53 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -109.35 107.59 17.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.651 HD13 HG21 ' A' ' 74' ' ' VAL . 96.6 mt -121.79 122.09 65.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.659 HG22 ' CE2' ' A' ' 87' ' ' TYR . 24.2 t -99.66 127.89 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.0 -168.64 33.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.525 1.141 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.62 38.66 29.18 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 1.6 tptp -110.97 141.1 44.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.02 131.64 39.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 43' ' ' PRO . 9.4 mt -92.95 140.21 23.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 128.07 11.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.07 -41.54 2.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 0.0 111.045 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.74 143.67 46.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 0.805 . . . . 0.0 109.596 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.69 93.48 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.27 68.92 0.79 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.56 145.89 39.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 6.2 pt -108.14 167.34 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.596 1.185 . . . . 0.0 109.227 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.62 -150.48 6.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -137.49 146.5 44.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -150.81 151.51 32.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.568 HD12 ' HB2' ' A' ' 72' ' ' MET . 7.7 mt -66.34 117.51 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.38 -52.03 10.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 28.7 tptt -158.58 125.23 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.852 HD12 ' HG3' ' A' ' 70' ' ' GLU . 3.6 mt -74.62 97.92 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' ILE . 1.4 mp -40.5 152.68 0.23 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 60' ' ' GLY . 18.3 Cg_endo -74.96 150.46 38.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.553 1.817 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.45 30.48 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.434 1.084 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' PRO . . . -89.65 179.3 44.47 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.44 ' HB3' HG22 ' A' ' 18' ' ' ILE . 52.9 m -70.85 -26.0 63.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 0.809 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.455 ' HB2' HD12 ' A' ' 34' ' ' ILE . . . -77.99 -52.74 8.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -58.07 -20.08 36.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.593 1.183 . . . . 0.0 110.363 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.71 -58.6 7.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.076 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 65' ' ' THR . 81.4 p -39.35 -50.84 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.13 -32.11 5.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -74.38 -39.54 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.358 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.19 139.79 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mtt -137.86 133.15 33.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.958 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.852 ' HG3' HD12 ' A' ' 56' ' ' ILE . 4.7 mp0 -53.45 148.56 8.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.72 5.86 83.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.147 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.568 ' HB2' HD12 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -84.76 117.68 23.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.957 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.472 ' NE2' HD13 ' A' ' 42' ' ' ILE . 19.9 tt0 -67.74 123.58 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.651 HG21 HD13 ' A' ' 36' ' ' ILE . 39.4 t -87.59 109.59 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.5 mt -72.38 -54.66 8.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -141.32 159.54 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.678 ' CD2' HG23 ' A' ' 94' ' ' ILE . 34.9 t-105 -134.37 104.14 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 66.27 29.63 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.13 -54.86 0.68 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.491 HG22 HD13 ' A' ' 93' ' ' ILE . 3.4 mp -56.31 119.9 31.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 150.25 38.23 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.544 1.813 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.708 HD13 HG13 ' A' ' 90' ' ' VAL . 84.6 mt -114.07 34.01 4.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.4 m -107.92 126.13 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.431 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.55 42.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -126.95 -156.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.48 ' O ' HG23 ' A' ' 90' ' ' VAL . 29.5 p -134.0 153.17 51.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 110.361 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.659 ' CE2' HG22 ' A' ' 37' ' ' VAL . 4.2 t80 -40.79 -52.38 3.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.394 1.059 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.66 -66.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.179 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -39.86 -60.95 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.708 HG13 HD13 ' A' ' 82' ' ' LEU . 87.3 t -43.11 -64.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -37.55 -64.23 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.361 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.35 -54.43 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.515 HG21 HD21 ' A' ' 82' ' ' LEU . 33.4 mt -51.14 -41.42 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.364 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.678 HG23 ' CD2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -76.84 -62.68 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -52.86 162.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.984 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 70.57 70.95 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.398 1.062 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -173.45 76.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -96.35 74.08 2.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 175.63 45.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 3.7 tt0 68.24 148.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -150.42 162.1 41.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.71 134.66 49.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.452 HG21 HD11 ' A' ' 18' ' ' ILE . 3.6 tt -121.03 128.82 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 50.3 t -107.98 103.07 12.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.6 m -114.97 159.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.698 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 12.4 ttp85 -95.58 135.97 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' ASP . 20.9 mt -67.72 -96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -48.46 175.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.698 HD22 ' CZ ' ' A' ' 106' ' ' ARG . 7.7 tt 59.48 156.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.242 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.558 ' N ' HD23 ' A' ' 109' ' ' LEU . 2.7 m120 -154.41 163.87 39.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.713 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 2.4 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.533 0.206 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pt -85.77 -19.86 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.713 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 28.0 p90 -103.53 161.52 22.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.758 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.7 Cg_endo -74.93 120.16 5.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -136.4 -173.05 3.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.49 125.81 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.453 1.096 . . . . 0.0 109.394 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -92.23 86.83 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.492 ' CD1' ' CB ' ' A' ' 67' ' ' LYS . 85.1 mt -85.95 147.34 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.3 161.23 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.682 HD11 ' CG2' ' A' ' 103' ' ' ILE . 12.9 mm -119.69 115.72 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.647 HG22 ' HG2' ' A' ' 100' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.97 83.49 0.69 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.619 HD12 ' CB ' ' A' ' 62' ' ' ALA . 6.2 tt -144.94 132.58 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -117.27 105.19 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.239 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.552 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 54.3 mt -113.05 132.26 62.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.496 HG22 ' CE2' ' A' ' 87' ' ' TYR . 4.1 t -107.5 124.53 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.89 151.42 18.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.568 1.167 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.59 8.65 54.35 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -87.99 136.57 32.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -73.48 125.42 27.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.6 mt -77.71 135.42 64.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.403 ' CD ' ' HG2' ' A' ' 111' ' ' MET . 18.3 Cg_endo -75.0 66.53 6.02 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.0 79.59 0.3 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.22 43.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.657 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.11 58.91 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.072 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.27 67.86 1.01 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.461 1.1 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -128.84 141.49 51.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.4 pt -86.78 175.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 177.85 -159.37 25.11 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.552 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -125.56 148.41 48.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.783 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -152.18 148.74 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.756 HD11 HD12 ' A' ' 68' ' ' LEU . 40.8 mt -57.25 113.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.2 -54.16 4.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -134.72 144.46 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 69' ' ' MET . 2.5 mt -119.73 107.36 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -40.96 151.05 0.28 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 99.63 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.58 45.25 90.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.51 -147.22 17.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.594 0.82 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 m -80.67 -36.4 32.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.619 ' CB ' HD12 ' A' ' 34' ' ' ILE . . . -76.55 -57.32 3.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -51.71 -25.18 6.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -58.84 6.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.9 p -41.58 -59.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.75 -52.25 0.65 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.558 1.161 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.492 ' CB ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.24 -29.83 64.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.576 0.81 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.756 HD12 HD11 ' A' ' 53' ' ' ILE . 2.9 mm? -73.89 126.52 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 2.0 ttp -151.62 152.4 32.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 69' ' ' MET . 1.4 mt-10 -55.33 150.85 10.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.75 -5.53 84.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.1 mmm -82.86 125.28 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.76 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.548 ' NE2' HD23 ' A' ' 75' ' ' LEU . 11.5 tm0? -69.76 146.67 51.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 110.264 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.595 ' CG1' HD12 ' A' ' 82' ' ' LEU . 93.7 t -115.53 110.08 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.548 HD23 ' NE2' ' A' ' 73' ' ' GLN . 16.3 mt -81.73 -56.93 3.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 26.7 mt-10 -138.15 150.49 46.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.723 ' CE2' HG23 ' A' ' 94' ' ' ILE . 16.2 t-105 -129.15 107.26 9.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.2 m-20 69.82 29.73 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.72 -47.05 1.57 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 80' ' ' ILE . 4.5 mp -64.38 127.7 92.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 18.3 Cg_endo -75.03 154.55 42.41 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.468 1.773 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.736 HD22 HG13 ' A' ' 90' ' ' VAL . 74.0 mt -120.65 33.09 5.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -109.29 140.33 43.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t 67.9 32.18 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.033 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -121.03 -164.35 1.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.4 p -131.87 156.66 45.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.496 ' CE2' HG22 ' A' ' 37' ' ' VAL . 8.3 t80 -38.63 -62.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -48.21 -69.62 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' VAL . 26.5 mt-10 -38.84 -67.38 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.736 HG13 HD22 ' A' ' 82' ' ' LEU . 72.0 t -40.08 -63.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.7 OUTLIER -39.38 -62.11 0.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -54.32 3.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 80' ' ' ILE . 32.3 mt -50.48 -38.39 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.723 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -80.75 -61.5 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -37.33 -47.23 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -68.0 112.75 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.423 ' OE1' ' ND2' ' A' ' 78' ' ' ASN . 55.5 tp60 -179.08 148.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.3 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.84 80.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . 132.63 51.58 0.09 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.647 ' HG2' HG22 ' A' ' 19' ' ' THR . 3.3 mp0 60.27 145.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -135.2 166.54 22.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.1 mt-10 -109.75 136.08 49.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.682 ' CG2' HD11 ' A' ' 18' ' ' ILE . 14.3 tt -118.97 131.04 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.8 t -106.96 115.03 29.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 108.287 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.614 HG11 HD13 ' A' ' 68' ' ' LEU . 27.6 m -113.17 159.93 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.554 ' HD2' HD12 ' A' ' 109' ' ' LEU . 34.9 ttm180 -110.24 104.75 13.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.758 HD12 ' HB2' ' A' ' 12' ' ' PRO . 14.7 mt -40.48 -71.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.35 -169.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 110' ' ' ASN . 0.4 OUTLIER 65.07 -83.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.17 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.735 ' N ' HD13 ' A' ' 109' ' ' LEU . 4.0 m120 61.59 143.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.403 ' HG2' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.616 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.471 0.177 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 pt -59.23 -36.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.616 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 4.6 p90 -92.33 161.66 32.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.4 Cg_endo -75.05 138.54 23.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.22 169.06 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.616 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.05 108.4 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 98.09 9.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 mm -127.68 154.1 37.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -111.06 127.39 55.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.233 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -88.14 117.95 32.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 99' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.462 ' CA ' ' HG ' ' A' ' 57' ' ' LEU . . . 79.3 69.55 1.39 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.565 HD12 ' CB ' ' A' ' 62' ' ' ALA . 2.7 tt -151.74 128.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.06 117.49 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -119.93 129.92 74.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.5 121.5 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.69 -177.22 39.8 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.21 57.06 6.57 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.4 138.78 51.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 0.728 . . . . 0.0 109.355 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.54 133.52 55.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.508 HD13 HE22 ' A' ' 73' ' ' GLN . 18.2 mt -93.66 139.97 22.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.92 -63.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.54 1.811 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.61 -51.96 3.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -70.08 168.85 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.636 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -53.02 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.09 92.6 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -161.45 139.44 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.1 pt -96.8 139.46 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.96 -159.5 8.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.26 144.93 51.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 0.803 . . . . 0.0 109.37 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -146.86 151.99 37.97 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 0.0 111.058 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.6 mt -71.91 108.15 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.27 -55.58 31.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -157.17 175.53 13.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mt -115.26 152.17 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.462 ' HG ' ' CA ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -81.97 154.14 70.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 102.32 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.529 1.805 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.08 43.98 37.84 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.47 -173.93 35.43 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.9 m -71.05 -39.95 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 110.044 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.565 ' CB ' HD12 ' A' ' 34' ' ' ILE . . . -65.47 -36.29 83.43 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -30.74 64.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -56.07 26.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.4 p -39.9 -59.88 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.22 -11.2 72.71 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.164 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 -28.07 21.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.32 157.42 34.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mtt -147.88 147.85 30.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.95 151.51 47.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.78 32.79 74.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.64 138.59 40.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.508 HE22 HD13 ' A' ' 42' ' ' ILE . 53.2 tt0 -86.09 122.36 30.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.98 118.98 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.32 -51.8 14.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -145.38 162.08 38.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.714 ' CD2' HG22 ' A' ' 94' ' ' ILE . 1.4 t-105 -135.62 115.54 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 58.1 30.19 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.69 -47.42 1.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.671 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.2 mp -58.27 125.29 74.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.577 0.81 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.47 32.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.586 1.835 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.712 HD13 HG13 ' A' ' 90' ' ' VAL . 58.3 mt -115.46 24.75 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.6 m -103.15 138.5 39.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.9 t 66.83 30.52 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -114.48 -154.65 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 p -139.31 152.03 46.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.363 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -37.24 -60.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -48.04 -67.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' VAL . 17.6 mt-10 -38.51 -71.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.712 HG13 HD13 ' A' ' 82' ' ' LEU . 59.9 t -39.51 -46.39 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.517 ' HA ' HD11 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -62.8 -50.96 68.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 t -57.63 -29.67 64.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.028 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.61 -59.92 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.714 HG22 ' CD2' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -58.74 -31.81 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 91' ' ' GLN . 30.9 t -66.75 151.79 46.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.011 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 66.01 -160.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 75.5 43.32 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.16 -171.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.474 ' O ' HD13 ' A' ' 32' ' ' LEU . . . -66.74 -82.89 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 100' ' ' GLU . 0.7 OUTLIER -44.87 164.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.322 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.484 ' HB1' ' CZ2' ' A' ' 77' ' ' TRP . . . -173.54 162.41 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -113.05 136.54 52.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.649 HD12 ' CE3' ' A' ' 77' ' ' TRP . 4.3 tt -127.39 144.08 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 51.2 t -124.21 97.52 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 108.341 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.508 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -111.42 163.91 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.508 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 56.0 ttt180 -92.74 150.64 20.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 107' ' ' LEU . 13.1 mt -75.4 -77.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.57 92.87 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.59 124.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -117.92 155.39 30.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.384 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.628 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 1.7 m-85 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.522 0.201 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.5 pt -69.52 -26.03 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.083 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.628 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 46.6 p90 -99.34 162.19 22.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.625 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.3 Cg_endo -74.97 117.65 4.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.413 ' ND1' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -141.28 173.62 11.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.569 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.83 143.62 25.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -110.79 101.22 9.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.315 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.9 mp -117.35 109.34 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.492 ' HD3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -84.66 128.84 34.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 61' ' ' SER . 3.5 mt -76.95 120.81 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.757 HG22 ' HG2' ' A' ' 100' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.448 HD12 ' HG3' ' A' ' 97' ' ' GLN . 1.2 mp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.25 84.06 0.51 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.427 HG21 ' CH2' ' A' ' 77' ' ' TRP . 2.9 tt -156.66 127.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.454 0.737 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.82 112.78 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.595 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 67.8 mt -120.4 128.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.58 HG22 ' CE2' ' A' ' 87' ' ' TYR . 26.0 t -100.08 117.44 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.52 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -89.62 -171.96 45.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.553 1.158 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.24 18.43 9.62 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.553 ' HG2' ' CE1' ' A' ' 52' ' ' TYR . 22.1 tptm -89.87 145.87 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.747 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.616 ' HG2' ' HE2' ' A' ' 45' ' ' HIS . 3.7 tt0 -75.1 127.76 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.722 HG23 ' HD2' ' A' ' 43' ' ' PRO . 13.7 mt -72.12 142.4 84.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.722 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.02 57.56 4.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.84 92.6 0.71 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.382 1.051 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.616 ' HE2' ' HG2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -156.41 -179.42 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 109.59 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -106.84 54.11 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.84 72.56 0.99 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.084 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.885 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -137.59 -153.42 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 0.729 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.885 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -176.77 128.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.72 -169.27 12.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.595 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -119.52 148.91 42.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 28.5 p90 -141.56 155.98 45.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.622 HD12 ' HB2' ' A' ' 72' ' ' MET . 31.0 mt -67.83 116.96 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.411 1.069 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.64 -53.51 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -154.03 136.8 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' LEU . 3.4 mt -78.18 90.55 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.748 HD13 ' HD2' ' A' ' 58' ' ' PRO . 0.9 OUTLIER -38.25 142.62 0.46 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.748 ' HD2' HD13 ' A' ' 57' ' ' LEU . 18.4 Cg_endo -75.07 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.03 -62.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.05 5.39 8.9 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.4 m -82.47 -54.71 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.36 -16.81 19.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -79.55 -18.36 51.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' THR . 0.6 OUTLIER -75.95 -51.77 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' GLN . 38.6 p -37.7 -53.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.354 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.1 -40.19 3.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.27 -15.22 32.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -86.62 145.59 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.2 mtm -153.66 147.23 25.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.88 149.06 45.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.98 -9.87 70.59 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.622 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.5 mmt -62.64 119.79 9.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 0.787 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.35 101.42 0.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.544 HG21 HD13 ' A' ' 36' ' ' ILE . 99.5 t -72.31 110.74 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.357 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.49 -54.38 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 17.4 mt-10 -140.35 159.77 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.722 ' HE3' HD13 ' A' ' 103' ' ' ILE . 30.5 t-105 -140.08 118.0 11.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.436 ' O ' HD12 ' A' ' 80' ' ' ILE . 4.4 m-80 60.13 29.68 19.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.52 -42.96 2.38 Favored Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.651 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.2 mp -67.98 127.17 93.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.413 0.714 . . . . 0.0 109.215 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.449 ' O ' HD23 ' A' ' 82' ' ' LEU . 18.0 Cg_endo -75.1 156.67 42.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.676 HD13 HG13 ' A' ' 90' ' ' VAL . 75.8 mt -122.83 34.83 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -104.81 139.35 39.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.494 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.82 39.1 8.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.988 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -125.05 -172.31 2.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' TYR . 23.7 p -126.78 153.43 45.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.415 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.58 ' CE2' HG22 ' A' ' 37' ' ' VAL . 14.9 t80 -37.06 -54.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.063 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -54.12 -72.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.565 1.166 . . . . 0.0 110.342 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' GLU . 20.7 mt-10 -37.73 -65.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.676 HG13 HD13 ' A' ' 82' ' ' LEU . 75.7 t -40.46 -60.77 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -45.32 -43.03 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -35.36 77.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.531 HD13 HG22 ' A' ' 80' ' ' ILE . 59.6 mt -70.89 -36.97 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.608 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -81.92 -69.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.369 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 91' ' ' GLN . 80.5 p -40.92 158.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 72.72 66.24 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.448 ' HG3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -127.35 167.33 16.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 98.6 p -156.95 99.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.81 -147.51 16.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.757 ' HG2' HG22 ' A' ' 19' ' ' THR . 0.2 OUTLIER -61.44 -175.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.35 122.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 142.34 38.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.722 HD13 ' HE3' ' A' ' 77' ' ' TRP . 2.7 tp -138.69 153.62 25.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.649 ' H ' HD12 ' A' ' 103' ' ' ILE . 38.7 t -133.65 125.55 28.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 108.373 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.3 m -135.92 146.48 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -91.19 122.6 33.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 12' ' ' PRO . 29.6 mt -46.34 -64.55 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.83 175.34 5.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.45 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 0.2 OUTLIER 63.89 137.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -154.65 131.12 10.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 8.0 mtt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.423 1.077 . . . . 0.0 110.944 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.753 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 7.0 m-85 . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 120.519 0.199 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pt -79.78 -14.3 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.753 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 35.9 p90 -111.66 161.79 23.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.806 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.3 Cg_endo -75.02 117.68 4.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.27 167.94 20.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.595 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.75 139.26 23.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -106.85 100.5 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mp -113.31 109.63 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.395 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 132.66 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.451 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 3.4 mt -78.53 120.45 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.81 100.58 0.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.599 1.187 . . . . 0.0 110.993 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.443 HD11 HG12 ' A' ' 53' ' ' ILE . 13.7 tt -148.89 138.52 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 0.767 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -113.26 105.6 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.456 HG22 ' HB1' ' A' ' 51' ' ' ALA . 96.5 mt -112.11 117.98 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.225 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 32.4 t -90.1 133.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.33 173.01 20.97 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.96 42.89 94.54 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -120.99 134.71 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.05 131.91 50.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.45 HD11 ' HA3' ' A' ' 50' ' ' GLY . 22.2 mt -92.49 112.36 55.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.576 ' O ' HD11 ' A' ' 109' ' ' LEU . 18.1 Cg_endo -75.0 60.35 5.42 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.798 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.5 -42.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.428 1.08 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.41 52.63 2.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 0.0 109.552 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.27 -79.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.975 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.33 55.15 0.2 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -109.87 148.33 31.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.2 pt -82.86 156.95 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.45 ' HA3' HD11 ' A' ' 42' ' ' ILE . . . -168.17 -167.16 28.42 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.559 1.162 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.549 ' HB3' HD13 ' A' ' 82' ' ' LEU . . . -118.84 145.76 45.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 0.822 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 14.8 p90 -150.27 160.27 43.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.443 HG12 HD11 ' A' ' 34' ' ' ILE . 19.8 mt -66.14 119.24 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.58 -52.56 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 tptm -133.93 142.44 47.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.229 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mt -118.12 106.59 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.343 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mp -40.5 153.26 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.3 Cg_endo -75.06 140.35 25.19 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 37.57 50.18 1.84 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.28 -173.76 32.73 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.451 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 17.7 m -74.1 -36.73 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.27 -42.54 65.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.44 -20.64 63.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.04 -53.77 40.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.5 p -38.78 -44.71 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.08 -39.9 3.1 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -16.2 64.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.323 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.85 140.72 29.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.55 156.08 31.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.69 150.92 39.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.35 -23.92 19.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mmt -61.11 121.99 13.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -70.55 129.02 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.714 HG13 ' CD1' ' A' ' 103' ' ' ILE . 53.6 t -93.7 109.99 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.9 mt -71.42 -51.84 21.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.596 1.185 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -145.37 149.63 35.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.663 ' NE1' HG23 ' A' ' 94' ' ' ILE . 68.6 t-105 -122.56 133.18 54.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 108.019 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.856 ' OD1' HD12 ' A' ' 80' ' ' ILE . 17.1 p30 43.82 28.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 88.55 -34.45 3.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.856 HD12 ' OD1' ' A' ' 78' ' ' ASN . 13.8 mt -65.56 123.21 83.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 98.69 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.572 HD11 HG12 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -82.85 5.71 20.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.4 m -77.96 145.85 35.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t 63.83 31.39 14.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.54 -153.94 0.53 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.7 p -131.3 149.94 52.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -39.8 -43.77 1.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.18 -67.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' VAL . 3.6 mt-10 -38.88 -66.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.56 HG22 ' HB2' ' A' ' 82' ' ' LEU . 74.3 t -39.7 -63.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.2 OUTLIER -42.02 -64.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.3 t -44.08 -43.9 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.542 HD13 ' CG2' ' A' ' 80' ' ' ILE . 25.7 mt -62.38 -42.04 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.663 HG23 ' NE1' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -75.63 -67.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -60.56 83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.061 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 94' ' ' ILE . 2.5 tt0 -177.19 -47.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -57.17 172.79 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.97 149.41 17.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.04 -79.15 1.83 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.137 . . . . 0.0 111.001 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.85 149.94 42.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -140.38 145.36 36.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.48 152.29 20.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.714 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.2 tp -148.32 150.66 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.18 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.9 t -134.01 109.69 9.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.1 m -117.07 144.61 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.412 ' NH2' ' CD1' ' A' ' 11' ' ' PHE . 23.6 ttm180 -87.51 122.8 31.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.806 HD12 ' HB2' ' A' ' 12' ' ' PRO . 33.8 mt -47.77 -61.95 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -71.34 174.17 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 43' ' ' PRO . 0.3 OUTLIER 71.87 172.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 t30 174.28 119.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.705 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 4.9 m-85 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.426 0.155 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pt -78.5 -15.75 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.705 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 25.8 p90 -108.14 161.9 21.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.87 6.84 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -140.57 164.05 31.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' HB1' ' CD1' ' A' ' 16' ' ' ILE . . . -128.65 103.57 7.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -92.02 89.23 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.429 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 3.8 mp -117.53 136.09 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.917 ' HD3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -87.43 137.28 32.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.411 HD12 ' CB ' ' A' ' 62' ' ' ALA . 36.3 mm -63.9 121.17 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.917 HG23 ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.32 107.79 0.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.418 1.074 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 tt -155.03 127.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.37 106.05 16.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.402 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 62.3 mt -118.14 118.42 58.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.3 t -91.67 128.88 43.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.542 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -110.39 138.81 15.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.38 5.61 20.91 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 143.65 28.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.55 127.67 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.5 mt -71.75 116.73 51.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 60.13 5.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.504 ' HA3' HD11 ' A' ' 109' ' ' LEU . . . -168.41 -49.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.91 155.18 40.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 109.609 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 m -42.52 -40.77 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.12 85.04 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -139.65 142.23 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 85' ' ' LYS . 43.8 pt -90.02 155.84 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.26 -126.85 0.93 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.43 1.082 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -153.61 146.94 24.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.405 ' HA ' ' O ' ' A' ' 72' ' ' MET . 19.9 p90 -146.38 147.62 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.774 HD12 ' HB2' ' A' ' 72' ' ' MET . 18.1 mt -67.9 122.23 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.74 -51.27 6.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -153.75 145.78 23.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.38 1.05 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LEU . 3.6 mt -91.59 90.29 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.561 HD13 ' HD2' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -39.71 139.12 0.95 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.561 ' HD2' HD13 ' A' ' 57' ' ' LEU . 18.3 Cg_endo -74.97 98.37 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.21 -60.52 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . 123.61 3.84 8.36 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 19' ' ' THR . 7.3 m -82.78 -54.61 4.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.036 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.411 ' CB ' HD12 ' A' ' 18' ' ' ILE . . . -98.04 -24.62 15.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.45 -21.06 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -74.61 -54.52 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 64' ' ' GLN . 77.7 p -37.44 -53.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.373 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.26 -40.88 3.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.064 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -57.21 -19.34 20.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 0.78 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.426 HD11 HG21 ' A' ' 103' ' ' ILE . 2.1 mm? -82.89 131.75 35.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.389 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.2 mmt -140.9 147.94 39.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 111.033 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -64.48 152.9 40.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.98 -2.25 70.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.774 ' HB2' HD12 ' A' ' 53' ' ' ILE . 2.7 mmm -72.51 125.57 27.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -72.86 104.72 4.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.32 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.501 ' HA ' HG12 ' A' ' 105' ' ' VAL . 53.3 t -72.18 110.33 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.2 mt -77.48 -57.79 3.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 73.0 mt-10 -132.35 157.01 45.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.66 ' CE3' HG12 ' A' ' 103' ' ' ILE . 18.6 t-105 -145.91 113.78 6.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 107.96 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.579 ' O ' HD12 ' A' ' 80' ' ' ILE . 2.2 m120 61.19 33.27 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.76 -47.44 3.21 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.436 1.085 . . . . 0.0 111.064 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.669 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.0 mp -66.09 121.81 78.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -75.02 156.02 42.87 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.596 HD13 HG13 ' A' ' 90' ' ' VAL . 38.5 mt -116.23 35.62 4.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -109.04 138.36 45.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 t 69.65 32.98 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.464 ' O ' HD12 ' A' ' 49' ' ' ILE . 8.0 mmtt -123.93 -158.64 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.1 p -143.25 162.55 35.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.461 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -38.85 -60.54 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.5 mt-10 -50.81 -71.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.228 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -38.79 -66.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.596 HG13 HD13 ' A' ' 82' ' ' LEU . 71.9 t -40.72 -61.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -41.5 -63.93 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -41.49 -51.78 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.524 HD13 HG22 ' A' ' 80' ' ' ILE . 36.0 mt -52.84 -40.66 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.6 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -78.63 -63.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.5 OUTLIER -65.04 92.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 175.79 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -52.49 176.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -149.32 151.06 33.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.025 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.73 -176.91 0.97 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -39.42 135.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 0.721 . . . . 0.0 110.292 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -134.61 179.78 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.99 155.82 17.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.66 HG12 ' CE3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -140.22 154.22 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.0 t -150.34 98.51 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 108.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' A' ' 74' ' ' VAL . 18.9 m -121.51 161.11 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 108' ' ' ASP . 47.1 ttt85 -90.21 132.62 35.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.37 -61.5 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.425 ' O ' ' CD ' ' A' ' 106' ' ' ARG . 9.0 t70 -80.86 161.11 24.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.504 HD11 ' HA3' ' A' ' 44' ' ' GLY . 1.7 tt 70.55 127.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.503 ' N ' HD23 ' A' ' 109' ' ' LEU . 15.9 p30 -139.22 143.13 37.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.744 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 29.5 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.465 0.174 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pt -84.66 -9.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.744 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 17.6 p90 -111.65 161.73 24.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 120.98 6.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.57 163.27 29.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.77 103.01 6.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.34 95.56 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 67' ' ' LYS . 47.0 mt -129.42 138.49 54.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.91 175.91 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.904 HD11 HG21 ' A' ' 103' ' ' ILE . 11.6 mt -130.94 124.68 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.345 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.773 ' HA2' HD12 ' A' ' 57' ' ' LEU . . . 96.66 58.12 1.07 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.593 HD12 ' HB2' ' A' ' 62' ' ' ALA . 18.3 tt -145.11 135.72 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -112.05 114.89 28.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.1 mt -121.01 130.56 74.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.2 t -116.58 132.47 66.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.222 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.86 -178.43 34.91 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.456 1.097 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.31 50.65 51.54 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.484 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -121.49 132.89 54.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 0.712 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.41 127.23 30.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.585 HG23 ' HD2' ' A' ' 43' ' ' PRO . 15.5 mt -86.36 140.7 34.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.585 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.0 -46.8 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.428 1.752 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.43 -69.24 1.33 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -43.9 164.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 0.736 . . . . 0.0 109.526 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -75.64 -43.7 46.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.55 83.96 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -152.76 149.95 28.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 5.3 pt -98.96 158.04 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.76 -159.27 9.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.691 ' HB3' HD13 ' A' ' 82' ' ' LEU . . . -121.63 141.74 50.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 8.0 p90 -150.82 162.12 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.736 HD12 ' HB2' ' A' ' 72' ' ' MET . 26.3 mt -76.15 108.59 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.07 -55.47 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 14.6 tptt -155.53 132.65 10.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.437 1.085 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.561 HG12 HG21 ' A' ' 53' ' ' ILE . 4.1 mt -84.21 112.95 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.773 HD12 ' HA2' ' A' ' 33' ' ' GLY . 8.2 mt -42.02 163.09 0.13 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 99.42 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.54 36.44 68.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.96 -155.13 1.62 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.484 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 18.8 m -79.71 -50.44 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.768 ' HA ' HD13 ' A' ' 68' ' ' LEU . . . -55.49 -44.4 76.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.28 -30.66 70.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.44 -57.97 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 77.2 p -42.01 -50.37 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.398 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.3 20.07 21.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -126.73 -44.04 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.768 HD13 ' HA ' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -61.43 138.28 58.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.39 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.08 175.05 9.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.33 166.38 22.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 42.05 45.47 4.98 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.736 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.4 mmm -102.45 114.85 29.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -59.73 108.87 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.584 1.177 . . . . 0.0 110.323 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.637 HG13 HD11 ' A' ' 103' ' ' ILE . 89.6 t -83.57 109.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mt -74.56 -58.21 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -136.03 150.18 49.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.373 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.667 ' HE3' HD13 ' A' ' 103' ' ' ILE . 14.2 t-105 -130.02 125.01 34.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.595 ' O ' HD12 ' A' ' 80' ' ' ILE . 17.3 m-20 53.79 30.47 11.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.226 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.76 -38.68 3.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.595 HD12 ' O ' ' A' ' 78' ' ' ASN . 4.8 mp -69.63 125.39 91.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.99 140.08 25.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.74 ' H ' HD12 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -123.89 21.87 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.8 m -87.51 144.57 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.0 t 60.79 29.64 19.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.056 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.53 ' HB2' HG23 ' A' ' 90' ' ' VAL . 3.4 mttm -111.93 -172.31 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 p -115.24 154.14 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -37.46 -62.08 0.55 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -48.63 -66.44 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' VAL . 27.1 mt-10 -38.39 -72.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.607 HG22 ' HB2' ' A' ' 82' ' ' LEU . 55.7 t -39.91 -61.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.27 -64.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.58 -51.66 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.498 HD13 HG22 ' A' ' 80' ' ' ILE . 34.3 mt -53.95 -41.35 49.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.611 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -76.77 -63.47 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.578 1.174 . . . . 0.0 109.361 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -49.37 171.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' SER . 2.3 mt-30 74.24 -58.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -61.3 81.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 96' ' ' GLN . 49.7 m -78.96 166.46 22.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.919 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.75 -168.17 53.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -52.03 170.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 0.773 . . . . 0.0 110.348 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.02 156.84 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.362 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -95.02 150.63 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.904 HG21 HD11 ' A' ' 18' ' ' ILE . 3.5 tp -139.42 150.77 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.419 ' H ' HD12 ' A' ' 103' ' ' ILE . 28.1 m -134.85 102.75 5.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 108.309 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.441 HG12 HG22 ' A' ' 74' ' ' VAL . 30.0 m -121.15 151.04 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -83.39 132.07 35.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.6 -58.67 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 2.6 m-20 -81.23 152.48 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.2 OUTLIER 87.36 137.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.38 146.76 30.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 8.1 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.477 0.18 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -18.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 18.9 p90 -106.18 161.79 21.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.571 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.4 Cg_endo -74.93 122.46 7.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.01 174.15 10.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.39 131.58 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -95.35 88.75 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 17' ' ' LYS . 2.0 mp -92.43 162.36 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.584 ' O ' HD13 ' A' ' 18' ' ' ILE . 13.0 pttp -112.55 177.95 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 17' ' ' LYS . 14.1 mm -139.0 118.48 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.63 73.98 0.76 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.957 HD12 ' HB2' ' A' ' 62' ' ' ALA . 7.1 tt -139.03 131.55 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -112.85 104.79 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' A' ' 94' ' ' ILE . 22.3 mt -117.44 137.0 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 1.083 HG21 ' CE1' ' A' ' 52' ' ' TYR . 16.1 m -108.8 -170.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.366 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.681 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -168.94 165.15 38.7 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.32 10.71 43.44 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -85.16 132.63 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.12 137.69 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.587 HG23 ' HD2' ' A' ' 43' ' ' PRO . 35.2 mt -89.48 140.78 28.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.93 80.87 2.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.58 1.831 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.82 82.33 1.63 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -161.95 47.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 0.784 . . . . 0.0 109.604 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.96 40.76 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.12 68.58 1.61 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -127.63 139.27 52.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 0.76 . . . . 0.0 110.23 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 85' ' ' LYS . 12.8 pt -87.24 139.15 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.18 -164.64 10.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -121.61 137.48 54.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.347 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 1.083 ' CE1' HG21 ' A' ' 37' ' ' VAL . 2.9 p90 -143.98 141.41 30.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.459 HG13 ' CG2' ' A' ' 74' ' ' VAL . 28.5 mt -64.31 107.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.639 ' HB2' HG13 ' A' ' 37' ' ' VAL . . . -55.71 -56.49 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -157.36 148.49 21.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mt -101.91 114.82 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.68 148.52 0.54 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 106.78 2.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.4 58.08 13.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.04 -154.54 11.66 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -78.68 -39.57 36.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.033 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.957 ' HB2' HD12 ' A' ' 34' ' ' ILE . . . -66.93 -44.48 80.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -73.04 -22.25 60.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -48.54 81.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.541 HG21 HD13 ' A' ' 18' ' ' ILE . 66.9 p -47.63 -49.42 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.67 -47.39 1.08 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.429 1.081 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -58.75 7.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 0.817 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.527 HD11 HD13 ' A' ' 103' ' ' ILE . 4.0 mm? -41.31 131.95 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 mmt -137.82 159.52 41.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.07 156.04 40.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 111' ' ' MET . . . 62.52 32.6 83.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.424 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.7 mmm -105.89 121.1 43.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -70.12 113.74 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.459 ' CG2' HG13 ' A' ' 53' ' ' ILE . 12.8 t -82.35 110.26 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mt -65.23 -59.13 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -138.41 161.3 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.636 ' CE2' HG23 ' A' ' 94' ' ' ILE . 37.4 t-105 -137.78 110.97 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 108.045 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.495 ' O ' HD12 ' A' ' 80' ' ' ILE . 1.7 m-20 68.24 29.49 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.2 -44.26 2.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.623 ' H ' HD12 ' A' ' 80' ' ' ILE . 3.8 mp -59.09 127.4 83.79 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.94 142.91 28.64 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 1.064 HD22 HG13 ' A' ' 90' ' ' VAL . 66.1 mt -105.99 -34.62 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.22 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 84' ' ' SER . 19.7 m -54.28 129.57 35.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 83' ' ' THR . 1.2 t 84.98 31.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.512 ' O ' HD12 ' A' ' 49' ' ' ILE . 3.3 mmtt -130.57 -177.37 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.1 p -110.1 142.54 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.348 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE2' ' HB ' ' A' ' 37' ' ' VAL . 28.3 t80 -38.09 -36.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.92 -66.69 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 90' ' ' VAL . 37.6 mt-10 -41.84 -58.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.064 HG13 HD22 ' A' ' 82' ' ' LEU . 73.1 t -39.89 -61.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -37.75 -63.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.94 -55.12 2.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.612 HD13 HG22 ' A' ' 80' ' ' ILE . 25.8 mt -50.69 -42.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.636 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -74.5 -57.27 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -68.49 63.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.983 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -179.41 77.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.347 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -139.66 163.17 33.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.08 68.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.94 109.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.442 1.089 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 5.5 tt0 74.73 149.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.332 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -154.43 162.33 41.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.246 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.69 134.94 48.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.527 HD13 HD11 ' A' ' 68' ' ' LEU . 9.0 tt -120.21 152.59 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.1 t -136.06 110.88 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 108.343 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.47 179.9 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.256 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.539 ' HD2' HD23 ' A' ' 109' ' ' LEU . 34.8 ttm180 -119.87 115.16 23.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 12' ' ' PRO . 10.4 mt -45.3 -66.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -74.09 88.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.731 HD13 ' H ' ' A' ' 110' ' ' ASN . 0.2 OUTLIER -176.95 147.72 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.731 ' H ' HD13 ' A' ' 109' ' ' LEU . 25.0 t30 -154.81 130.99 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.439 ' CE ' ' HB3' ' A' ' 52' ' ' TYR . 1.2 mtt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.797 ' CD1' ' CZ ' ' A' ' 11' ' ' PHE . 26.9 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.454 0.169 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 pt -77.54 -20.26 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.797 ' CZ ' ' CD1' ' A' ' 9' ' ' TYR . 17.3 p90 -101.29 161.48 23.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.07 5.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.409 ' ND1' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -129.2 165.59 21.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 109.641 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.91 104.23 7.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 94.68 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.492 HD11 ' HD3' ' A' ' 67' ' ' LYS . 1.8 mp -109.48 162.61 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.475 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -108.98 171.14 7.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.5 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 4.9 mm -124.12 116.94 49.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.366 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.448 ' CA ' ' HB2' ' A' ' 57' ' ' LEU . . . 109.32 79.29 1.1 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.9 tt -154.89 134.84 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -119.29 106.12 12.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.5 mt -110.08 121.41 62.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.508 HG22 ' CE2' ' A' ' 87' ' ' TYR . 2.9 t -100.12 127.17 53.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.99 -165.54 35.53 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.406 ' HA2' HD12 ' A' ' 49' ' ' ILE . . . 40.91 47.32 4.1 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 14.3 tptt -121.58 136.04 54.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.43 147.82 30.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.4 mt -111.12 119.86 44.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 70.7 5.28 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.55 44.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.574 1.171 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -160.0 156.51 27.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.635 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 77.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.52 66.66 1.66 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.06 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.95 144.17 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.406 HD12 ' HA2' ' A' ' 39' ' ' GLY . 5.0 pt -101.15 159.62 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.44 -167.27 19.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.652 ' HB3' HD13 ' A' ' 82' ' ' LEU . . . -120.12 137.77 53.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -141.45 161.66 37.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -69.45 103.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.57 -57.35 4.05 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -140.69 145.07 36.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mt -110.43 106.23 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.448 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 2.9 mm? -40.4 150.87 0.26 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.46 36.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 40.67 29.73 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.42 -172.89 49.38 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 25.9 m -78.28 -54.8 5.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.995 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.414 ' O ' ' OG1' ' A' ' 65' ' ' THR . . . -57.16 -23.9 50.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -80.67 -17.97 49.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.246 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 65' ' ' THR . 1.9 pt20 -81.41 -44.98 16.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 64' ' ' GLN . 19.4 p -38.77 -40.0 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 110.364 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.23 -41.12 3.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.492 ' HD3' HD11 ' A' ' 16' ' ' ILE . 3.4 mttt -66.49 -64.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 0.782 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' CD1' HD13 ' A' ' 103' ' ' ILE . 3.0 mm? -41.02 126.53 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.0 mmm -138.08 141.52 40.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.35 143.42 18.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.73 -29.17 8.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.145 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.4 mmm -52.88 139.59 26.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 0.789 . . . . 0.0 111.053 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.628 ' OE1' HD13 ' A' ' 109' ' ' LEU . 41.8 tt0 -86.42 127.09 34.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -100.27 109.66 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 106' ' ' ARG . 2.2 mt -70.03 -53.94 15.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -135.72 167.06 21.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.724 ' CE2' HG23 ' A' ' 94' ' ' ILE . 11.2 t-105 -145.6 124.0 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.719 ' O ' HD12 ' A' ' 80' ' ' ILE . 3.4 m-20 54.8 33.26 19.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.29 -43.02 3.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 78' ' ' ASN . 5.1 mp -67.78 123.33 86.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.412 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 18.3 Cg_endo -74.98 142.5 27.99 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.73 ' H ' HD12 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -124.08 19.73 9.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.1 m -87.73 142.83 27.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.27 30.15 15.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.555 ' HB2' HG23 ' A' ' 90' ' ' VAL . 2.7 mmtt -112.94 -160.68 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 p -123.71 150.81 43.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.508 ' CE2' HG22 ' A' ' 37' ' ' VAL . 5.9 t80 -39.46 -53.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -64.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' VAL . 48.0 mt-10 -41.92 -67.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 110.342 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.615 HG22 ' HB2' ' A' ' 82' ' ' LEU . 37.8 t -39.91 -58.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.379 1.049 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -46.68 -59.11 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -43.43 -42.93 4.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.706 HD13 HG22 ' A' ' 80' ' ' ILE . 30.0 mt -64.12 -40.83 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.724 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -77.77 -68.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.524 ' O ' ' C ' ' A' ' 96' ' ' GLN . 10.4 t 38.84 62.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.524 ' C ' ' O ' ' A' ' 95' ' ' SER . 1.5 pt20 28.48 63.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -40.37 115.56 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.265 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.2 143.08 19.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.54 -162.13 25.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 3.3 tt0 -54.82 148.97 12.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -148.62 119.02 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.33 135.87 39.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.52 ' HB ' ' CZ3' ' A' ' 77' ' ' TRP . 2.3 tt -121.73 137.7 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 81.4 m -116.49 106.65 13.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 108.274 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.496 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -122.34 163.23 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.504 ' HB2' HD11 ' A' ' 75' ' ' LEU . 67.6 ttt180 -98.04 149.16 22.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.4 mt -78.37 -69.91 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -66.39 -176.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.628 HD13 ' OE1' ' A' ' 73' ' ' GLN . 4.7 tt 71.35 -79.54 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 0.0 109.211 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' MET . 37.6 t-20 43.75 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.5 mtt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.74 ' CD1' ' CZ ' ' A' ' 11' ' ' PHE . 2.2 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.557 0.218 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 pt -56.83 -27.17 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.74 ' CZ ' ' CD1' ' A' ' 9' ' ' TYR . 4.5 p90 -111.31 160.94 27.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.613 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.4 Cg_endo -75.01 119.63 5.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.47 169.47 17.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.628 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.62 135.69 30.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -107.92 91.44 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.59 HD11 ' HD3' ' A' ' 67' ' ' LYS . 2.4 mp -103.47 156.1 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -104.4 162.86 12.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' GLU . 7.7 mt -129.28 123.16 57.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.443 HG22 ' HG2' ' A' ' 100' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.759 HD11 ' O ' ' A' ' 99' ' ' GLY . 2.3 mm? . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.84 41.51 0.37 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 tt -135.96 131.13 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.408 0.71 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.566 ' HG3' HD13 ' A' ' 57' ' ' LEU . 4.6 mtt180 -101.44 105.24 16.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.513 ' HB ' HG21 ' A' ' 94' ' ' ILE . 67.5 mt -108.4 120.25 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.986 HG21 ' CE1' ' A' ' 52' ' ' TYR . 4.5 m -73.93 -156.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.673 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . 170.7 155.88 10.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.89 4.86 56.22 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.53 131.97 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -41.23 151.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.573 1.171 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.501 HD11 ' HA3' ' A' ' 50' ' ' GLY . 42.6 mt -113.09 140.28 24.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 137.76 22.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.46 -53.49 3.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.41 ' ND1' HG22 ' A' ' 42' ' ' ILE . 45.2 m80 -40.15 144.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.61 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -75.9 92.68 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.48 76.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -143.85 148.78 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' ' 83' ' ' THR . 15.4 pt -106.5 144.66 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.065 . . . . 0.0 109.24 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.501 ' HA3' HD11 ' A' ' 42' ' ' ILE . . . -149.96 -157.49 7.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -129.85 137.32 50.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.986 ' CE1' HG21 ' A' ' 37' ' ' VAL . 14.2 p90 -132.28 142.81 49.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.839 HD12 ' HB2' ' A' ' 72' ' ' MET . 65.3 mt -55.03 109.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.695 ' HB2' HG13 ' A' ' 37' ' ' VAL . . . -71.17 -55.92 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 15.4 tptt -164.77 129.43 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.431 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 3.6 mt -76.09 81.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.566 HD13 ' HG3' ' A' ' 35' ' ' ARG . 1.4 mp -40.18 152.81 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.06 -57.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . 113.86 3.94 23.1 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.72 -54.44 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.965 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.33 -29.48 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -66.14 -18.56 65.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.218 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 65' ' ' THR . 1.1 mt-30 -80.1 -54.23 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 65' ' ' THR . 80.1 p -37.07 -48.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.52 -39.92 3.09 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.59 ' HD3' HD11 ' A' ' 16' ' ' ILE . 3.8 tttp -59.75 -19.04 47.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.224 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.628 HD11 HG21 ' A' ' 103' ' ' ILE . 1.2 mm? -90.86 121.96 33.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.375 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.8 mtp -138.52 136.27 35.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -46.68 157.42 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.09 -5.13 67.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.839 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.9 mmm -81.86 127.44 33.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 0.716 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.689 ' HB3' HD13 ' A' ' 109' ' ' LEU . 23.2 tt0 -79.2 109.3 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 51' ' ' ALA . 3.5 t -71.45 120.79 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.7 mt -77.22 -54.08 6.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -143.0 157.95 44.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.383 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.729 ' CZ3' HD12 ' A' ' 103' ' ' ILE . 69.2 t-105 -133.95 134.02 42.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.06 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.926 ' OD1' HD12 ' A' ' 80' ' ' ILE . 17.9 p30 43.62 28.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 89.24 -34.8 3.85 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.926 HD12 ' OD1' ' A' ' 78' ' ' ASN . 8.5 mt -68.73 127.15 93.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.06 37.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.576 HD22 HG13 ' A' ' 90' ' ' VAL . 13.6 mt -110.96 -25.14 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 49' ' ' ILE . 46.1 m -62.69 144.83 55.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.367 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.2 t 70.37 29.72 3.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.413 ' O ' HD12 ' A' ' 49' ' ' ILE . 4.4 mmmt -131.12 -174.31 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.1 p -115.48 144.14 44.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.472 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.59 ' CE2' ' HB ' ' A' ' 37' ' ' VAL . 42.5 t80 -37.49 -54.77 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.45 -56.95 12.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.24 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.436 ' N ' ' CD ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -52.67 -58.97 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.225 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.7 HG11 ' O ' ' A' ' 37' ' ' VAL . 92.4 t -47.73 -52.03 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.185 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.48 -43.84 8.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -34.4 76.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.072 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.687 HD13 HG22 ' A' ' 80' ' ' ILE . 66.6 mt -68.24 -33.96 63.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.81 ' N ' HD13 ' A' ' 94' ' ' ILE . 0.4 OUTLIER -85.01 -56.29 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.35 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.22 57.03 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.059 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -178.28 81.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -136.14 -179.98 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -127.27 59.12 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.953 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.759 ' O ' HD11 ' A' ' 32' ' ' LEU . . . 98.01 -105.93 3.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.13 . . . . 0.0 111.048 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.443 ' HG2' HG22 ' A' ' 19' ' ' THR . 0.0 OUTLIER -60.47 -176.05 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 0.742 . . . . 0.0 110.29 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.91 151.27 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -111.89 138.85 47.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.729 HD12 ' CZ3' ' A' ' 77' ' ' TRP . 2.6 tt -124.76 150.77 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 77.2 m -134.61 88.88 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 108.286 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 m -103.43 156.37 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.655 ' HD3' HD12 ' A' ' 109' ' ' LEU . 45.6 ttt180 -99.53 133.25 44.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.613 HD12 ' HB2' ' A' ' 12' ' ' PRO . 19.2 mt -57.79 -69.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -68.99 103.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.689 HD13 ' HB3' ' A' ' 73' ' ' GLN . 2.0 mt 168.16 158.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -174.97 107.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 111.042 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.615 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 9.9 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.572 0.225 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.642 HD12 ' N ' ' A' ' 11' ' ' PHE . 2.3 pp -57.46 -44.27 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.642 ' N ' HD12 ' A' ' 10' ' ' ILE . 27.4 p90 -77.29 161.4 72.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.8 5.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.575 1.829 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.22 163.21 29.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.644 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.24 115.93 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 10.3 mtp-105 -104.21 85.83 2.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 16' ' ' ILE . 4.9 mp -124.19 123.88 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.508 ' HD3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -82.08 134.65 35.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.24 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.541 HG21 ' OG ' ' A' ' 61' ' ' SER . 4.4 mt -73.59 118.02 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.508 HG23 ' HD3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.9 70.25 0.59 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.04 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 62' ' ' ALA . 8.9 tt -146.39 131.25 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.583 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 6.3 mmm180 -110.58 131.04 55.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.358 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -139.18 134.71 41.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.5 t -118.89 120.35 63.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.213 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.36 -179.61 46.69 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.67 49.54 77.43 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -128.27 130.09 47.36 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -58.14 139.33 55.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 9.4 mt -92.75 133.87 28.57 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.92 69.79 5.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 111.071 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.51 -73.41 0.15 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -39.88 150.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 0.739 . . . . 0.0 109.593 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 m -71.22 98.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.18 75.2 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -139.88 145.55 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.795 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 85' ' ' LYS . 4.4 pt -100.5 151.4 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.12 -156.63 7.47 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.29 153.3 41.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -155.43 160.84 40.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.737 HD13 ' CD1' ' A' ' 68' ' ' LEU . 5.7 mt -77.14 112.28 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.583 ' HB3' ' HB3' ' A' ' 35' ' ' ARG . . . -56.14 -53.65 54.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 6.0 tptm -170.98 125.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.628 HD11 ' CD1' ' A' ' 68' ' ' LEU . 3.4 mt -60.27 109.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -39.78 153.45 0.19 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.97 102.16 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.7 34.62 89.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.79 -147.42 18.91 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.541 ' OG ' HG21 ' A' ' 18' ' ' ILE . 40.9 p -81.02 -44.63 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.98 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.506 ' HB2' HD12 ' A' ' 34' ' ' ILE . . . -58.27 -43.24 87.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.71 -29.29 63.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -61.37 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.2 p -51.37 -33.07 28.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.32 27.13 39.08 Favored Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.28 -4.74 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 0.807 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.737 ' CD1' HD13 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -123.94 162.87 22.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.459 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.8 ptt? -139.58 -179.63 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.08 163.28 26.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 111' ' ' MET . . . 57.78 21.28 43.3 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.569 1.168 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.645 ' HB2' HD12 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -84.82 95.26 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 111.031 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.513 ' OE1' HD22 ' A' ' 109' ' ' LEU . 13.5 tt0 -42.38 110.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.9 t -81.27 110.2 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 104' ' ' CYS . 5.9 mt -71.24 -56.62 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -138.75 152.12 47.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.624 ' CE2' HG23 ' A' ' 94' ' ' ILE . 34.4 t-105 -132.53 109.5 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 108.034 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 61.67 30.25 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.2 -49.46 1.71 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.602 1.189 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.617 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.2 mp -60.38 125.99 83.32 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.518 ' O ' HD23 ' A' ' 82' ' ' LEU . 18.3 Cg_endo -74.99 154.31 42.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 81' ' ' PRO . 41.3 mt -122.26 35.35 4.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.4 m -107.55 140.97 39.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.411 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.0 t 61.98 39.69 13.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.049 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.735 ' O ' HD12 ' A' ' 49' ' ' ILE . 5.4 mmtm -125.67 -169.98 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.542 ' O ' HG23 ' A' ' 90' ' ' VAL . 22.3 p -128.87 165.46 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.378 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -43.9 -66.73 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLU . 1.3 mt-10 -44.8 -69.18 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 90' ' ' VAL . 11.2 mt-10 -38.14 -72.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.229 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 86' ' ' THR . 61.1 t -40.04 -60.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 95' ' ' SER . 1.1 tt0 -40.8 -63.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.84 -53.6 2.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.486 HD13 ' CG2' ' A' ' 80' ' ' ILE . 35.6 mt -51.45 -43.78 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.624 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -74.63 -60.26 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -38.1 -43.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.26 110.58 15.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.99 179.96 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 m -173.08 118.71 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . 68.68 111.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.419 1.074 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 99' ' ' GLY . 17.9 pm0 44.39 -171.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.01 143.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.27 133.08 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.261 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.507 HG12 HG13 ' A' ' 105' ' ' VAL . 9.7 tt -133.0 123.32 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 75' ' ' LEU . 6.6 m -109.36 107.61 17.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.507 HG13 HG12 ' A' ' 103' ' ' ILE . 21.1 m -114.54 172.95 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.474 ' CZ ' HD12 ' A' ' 109' ' ' LEU . 2.4 ttt180 -115.4 117.66 31.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.5 mt -53.2 -58.13 8.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -53.63 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.513 HD22 ' OE1' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -43.93 132.19 5.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -151.48 89.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLY . 5.1 mtt . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.756 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.522 0.201 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.58 -16.86 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.756 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 10.8 p90 -109.39 162.6 19.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 120.47 6.09 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.21 173.5 11.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.625 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.25 135.87 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.41 ' NH1' ' OE2' ' A' ' 102' ' ' GLU . 5.9 mtp-105 -109.04 87.77 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mm -98.74 131.47 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.95 159.78 16.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.384 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.577 HG23 ' HB3' ' A' ' 61' ' ' SER . 5.3 mt -128.52 120.97 54.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.586 1.179 . . . . 0.0 109.373 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.435 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.17 81.61 0.1 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.492 1.12 . . . . 0.0 110.934 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.1 tt -154.18 129.13 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 115.35 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 52' ' ' TYR . 88.9 mt -117.75 138.67 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.427 HG22 ' CE2' ' A' ' 87' ' ' TYR . 35.1 t -118.16 118.71 59.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.97 -163.8 39.28 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.442 1.089 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.13 51.21 2.77 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -124.48 129.59 50.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.71 134.47 51.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.2 mt -98.04 128.69 32.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.87 11.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.792 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.51 -34.8 4.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.55 142.47 30.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.559 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.2 -38.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.98 80.18 0.04 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -129.52 140.32 51.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 0.806 . . . . 0.0 110.251 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 85' ' ' LYS . 9.2 pt -91.36 149.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.16 -155.42 7.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.944 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.27 146.89 47.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.557 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 28.5 p90 -146.92 162.66 38.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.826 HD13 HD23 ' A' ' 68' ' ' LEU . 8.3 mt -78.04 102.97 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.68 -57.84 9.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.255 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -157.13 137.68 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.39 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.008 HD11 ' CD2' ' A' ' 68' ' ' LEU . 79.2 mt -92.16 130.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.91 150.11 30.22 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 129.95 12.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.1 40.38 95.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.63 172.6 20.33 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.89 ' O ' HG23 ' A' ' 65' ' ' THR . 0.4 OUTLIER -69.84 -35.31 74.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 0.8 . . . . 0.0 109.964 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -62.24 -38.03 87.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.98 -30.72 44.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -63.97 -44.39 92.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.355 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 61' ' ' SER . 64.6 p -39.75 -36.95 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.52 25.54 63.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.75 -43.87 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.008 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -67.61 164.72 18.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.996 ' N ' HD22 ' A' ' 68' ' ' LEU . 11.9 mtt -152.56 118.1 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -40.82 149.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.54 11.96 84.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.45 108.14 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.513 ' OE1' HD22 ' A' ' 109' ' ' LEU . 44.1 tt0 -50.2 121.15 5.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.587 ' CG2' HD11 ' A' ' 103' ' ' ILE . 99.5 t -85.12 109.63 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 104' ' ' CYS . 2.7 mt -70.69 -55.62 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -137.08 164.77 27.63 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.48 1.112 . . . . 0.0 110.348 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.569 ' CZ2' ' HB1' ' A' ' 101' ' ' ALA . 6.9 t-105 -145.27 109.11 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 58.3 32.88 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.37 -56.05 1.06 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.663 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.0 mp -57.54 124.12 65.95 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.434 0.726 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 149.62 36.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.744 HD22 HG13 ' A' ' 90' ' ' VAL . 40.9 mt -111.84 31.7 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.7 m -110.59 140.14 45.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p 69.15 30.77 4.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.477 ' O ' HD12 ' A' ' 49' ' ' ILE . 3.6 mmtm -122.94 -176.95 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 90' ' ' VAL . 71.8 p -121.77 156.91 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.427 ' CE2' HG22 ' A' ' 37' ' ' VAL . 11.1 t80 -37.66 -61.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLU . 5.5 mt-10 -49.56 -69.32 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' GLU . 48.7 mt-10 -38.84 -64.01 0.48 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.433 1.083 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.744 HG13 HD22 ' A' ' 82' ' ' LEU . 62.7 t -46.57 -58.25 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 95' ' ' SER . 4.3 tt0 -41.89 -41.0 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -41.26 93.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.979 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 80' ' ' ILE . 62.5 mt -63.44 -35.96 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.581 HD11 HG12 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -81.54 -59.96 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 91' ' ' GLN . 4.6 t -39.64 153.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 77.41 -170.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 71.73 63.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.229 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.8 p -81.65 74.23 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.052 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 100' ' ' GLU . . . 176.5 41.7 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.519 1.137 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 0.1 OUTLIER 89.34 168.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.254 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.569 ' HB1' ' CZ2' ' A' ' 77' ' ' TRP . . . -160.72 161.24 32.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' OE2' ' NH1' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -121.75 139.63 53.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.587 HD11 ' CG2' ' A' ' 74' ' ' VAL . 11.2 tt -128.52 130.9 69.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' LEU . 43.6 m -113.98 103.98 11.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 108.28 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.5 m -109.01 179.79 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.448 ' NH2' ' CE2' ' A' ' 11' ' ' PHE . 22.6 ttm180 -120.53 109.2 14.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 107' ' ' LEU . 2.1 mt -47.67 -60.68 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.58 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.513 HD22 ' OE1' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -57.57 172.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 110' ' ' ASN . 1.1 p30 -179.54 38.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 110' ' ' ASN . 6.1 mmt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.703 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 17.4 m-85 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.497 0.189 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.9 pt -74.66 -27.75 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.703 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 8.2 p90 -91.69 161.63 33.5 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.457 1.098 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.682 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.2 Cg_endo -75.01 121.55 6.64 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.4 171.59 14.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.473 ' O ' HD12 ' A' ' 16' ' ' ILE . . . -162.61 110.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -85.86 123.63 31.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 14' ' ' ALA . 4.1 mp -120.18 157.48 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.38 135.27 51.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.694 HD11 HG21 ' A' ' 103' ' ' ILE . 5.8 mm -88.19 114.82 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' CA ' ' HG ' ' A' ' 57' ' ' LEU . . . -140.41 90.59 0.19 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.694 HD12 ' CB ' ' A' ' 62' ' ' ALA . 5.5 tt -154.2 132.41 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.471 0.748 . . . . 0.0 109.352 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -108.47 106.9 17.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.498 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 45.2 mt -113.32 130.01 68.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 55.7 t -105.91 114.15 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.535 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -88.27 -172.37 46.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.38 25.21 8.13 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -99.6 134.66 42.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.738 ' HG2' ' HE2' ' A' ' 45' ' ' HIS . 9.3 tt0 -57.23 125.65 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.711 HG23 ' HD2' ' A' ' 43' ' ' PRO . 43.3 mt -73.05 141.9 81.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.711 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.06 59.12 5.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.23 93.83 0.73 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.738 ' HE2' ' HG2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -160.14 -179.51 7.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 109.633 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.23 54.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.32 72.09 1.05 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.155 . . . . 0.0 110.954 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.836 ' O ' HG23 ' A' ' 49' ' ' ILE . 2.8 tp10 -139.37 -152.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 110.235 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.836 HG23 ' O ' ' A' ' 48' ' ' GLU . 1.6 pt -171.71 135.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.39 -171.44 12.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.498 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -118.4 154.12 32.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 0.721 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE1' ' HB ' ' A' ' 37' ' ' VAL . 19.3 p90 -146.15 155.03 42.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.887 HD13 HD23 ' A' ' 68' ' ' LEU . 4.7 mt -72.34 95.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.078 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.46 -59.53 4.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 9.5 tptm -156.36 127.69 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.039 HD11 ' CD2' ' A' ' 68' ' ' LEU . 13.6 mt -80.12 135.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' HG ' ' CA ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -53.73 157.16 4.11 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 112.97 3.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.417 1.746 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.98 50.67 63.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.81 -163.21 26.93 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 65' ' ' THR . 50.5 m -74.84 -48.85 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.963 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.694 ' CB ' HD12 ' A' ' 34' ' ' ILE . . . -59.08 -30.45 68.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -79.76 -29.58 40.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' THR . 1.9 mt-30 -64.63 -45.54 86.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 61' ' ' SER . 68.8 p -38.01 -53.6 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.04 16.44 80.68 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.22 -41.35 2.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 0.789 . . . . 0.0 109.293 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 1.039 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -63.93 167.32 6.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.997 ' N ' HD22 ' A' ' 68' ' ' LEU . 44.6 mtt -157.18 126.01 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 111.065 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -46.76 149.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.25 2.25 90.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.04 113.32 20.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.494 ' OE1' HD22 ' A' ' 109' ' ' LEU . 15.9 tt0 -59.77 106.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.9 t -72.48 109.58 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.475 HD12 ' SG ' ' A' ' 104' ' ' CYS . 16.6 mt -65.97 -59.27 3.99 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 1.4 mp0 -138.41 164.83 28.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.745 ' CG ' HG22 ' A' ' 94' ' ' ILE . 5.1 t-105 -143.56 114.57 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.021 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 64.08 29.5 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.89 -49.85 1.76 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 80' ' ' ILE . 3.6 mp -62.03 122.57 73.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.747 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 18.5 Cg_endo -75.0 143.78 29.46 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.452 1.764 . . . . 0.0 111.043 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.565 HD22 HG13 ' A' ' 90' ' ' VAL . 18.3 mt -105.29 26.72 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.9 m -99.18 132.75 44.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.441 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t 69.85 30.52 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.013 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -113.04 -174.45 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' TYR . 48.3 p -119.5 152.13 37.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' THR . 11.9 t80 -37.24 -57.29 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -52.89 -67.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 90' ' ' VAL . 67.0 mt-10 -38.84 -70.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.565 HG13 HD22 ' A' ' 82' ' ' LEU . 46.4 t -38.81 -59.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.588 ' HA ' HD11 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -52.6 -46.26 66.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -37.49 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.81 -60.19 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.745 HG22 ' CG ' ' A' ' 77' ' ' TRP . 1.3 pt -57.01 -43.46 81.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 91' ' ' GLN . 71.8 m -69.04 -176.93 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.954 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 41.13 91.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.235 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -151.58 140.07 20.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -46.92 -60.82 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.028 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.72 -133.14 1.48 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.432 1.083 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -38.98 145.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.82 154.99 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.32 132.84 43.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.694 HG21 HD11 ' A' ' 18' ' ' ILE . 9.7 tt -124.38 131.0 73.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.475 ' SG ' HD12 ' A' ' 75' ' ' LEU . 15.6 t -106.02 112.99 26.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.265 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 m -111.29 158.91 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 107' ' ' LEU . 42.7 ttt180 -109.81 111.12 22.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.682 HD12 ' HB2' ' A' ' 12' ' ' PRO . 10.6 mt -39.97 -59.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 1.6 t0 -82.37 156.36 24.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.494 HD22 ' OE1' ' A' ' 73' ' ' GLN . 0.3 OUTLIER 87.33 119.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -139.05 136.96 35.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 111.006 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.751 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.543 0.211 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pp -67.69 -15.6 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.751 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 31.4 p90 -108.59 162.27 20.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 120.78 6.2 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.484 1.781 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -137.44 172.87 12.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.604 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.25 132.96 18.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -105.46 93.94 4.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.344 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mp -109.33 124.43 66.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -89.45 124.72 34.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.722 HD11 HG21 ' A' ' 103' ' ' ILE . 3.5 mt -83.47 121.64 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 46.09 64.92 2.26 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.7 tt -129.9 135.23 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.29 108.93 17.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.481 HD13 HG21 ' A' ' 74' ' ' VAL . 83.2 mt -112.84 118.45 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 41.2 t -91.53 116.92 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.22 -178.14 40.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.404 1.065 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.91 48.94 36.9 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.16 138.03 53.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.51 138.25 57.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.404 HD13 ' NE2' ' A' ' 73' ' ' GLN . 13.1 mt -108.76 124.16 35.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.451 ' O ' HD11 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -74.95 78.02 2.98 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.42 1.747 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.25 70.73 0.17 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.86 42.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.592 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.94 61.93 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.11 68.66 0.4 Allowed Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -116.31 144.35 44.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 0.818 . . . . 0.0 110.304 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 pt -99.17 140.33 18.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.94 -145.1 4.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HB1' HG22 ' A' ' 36' ' ' ILE . . . -136.61 162.93 31.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.454 ' CB ' ' HA ' ' A' ' 73' ' ' GLN . 21.8 p90 -166.9 144.06 4.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.99 HG21 HD11 ' A' ' 56' ' ' ILE . 96.1 mt -55.95 127.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.55 -51.22 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 141.56 51.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.99 HD11 HG21 ' A' ' 53' ' ' ILE . 3.2 mt -133.6 80.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.34 154.93 2.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.05 145.28 31.07 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.92 -36.0 3.64 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.74 144.2 0.19 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.521 ' CB ' ' CG2' ' A' ' 18' ' ' ILE . 58.2 m -57.82 -24.91 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 0.0 110.081 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.26 -55.78 8.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -65.54 -30.06 70.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -58.77 4.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 61' ' ' SER . 69.3 p -47.88 -40.36 21.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.61 55.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -117.6 -41.81 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 0.809 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.661 HD12 HD11 ' A' ' 53' ' ' ILE . 3.1 mm? -68.22 157.21 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 68' ' ' LEU . 20.6 mtm -161.16 143.44 12.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.9 150.33 3.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.99 -2.72 87.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.4 ' O ' ' HA ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -83.65 121.06 26.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.918 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.454 ' HA ' ' CB ' ' A' ' 52' ' ' TYR . 23.3 tt0 -76.34 126.26 30.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.481 HG21 HD13 ' A' ' 36' ' ' ILE . 32.1 t -86.85 109.38 19.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 104' ' ' CYS . 5.9 mt -75.12 -59.39 2.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -130.69 151.99 50.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.485 ' CE2' HG23 ' A' ' 94' ' ' ILE . 15.9 t-105 -138.52 107.96 6.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 62.03 30.65 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.24 -52.79 1.21 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.466 1.104 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.643 ' H ' HD12 ' A' ' 80' ' ' ILE . 4.3 mp -57.72 122.87 59.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.37 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 145.4 31.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.609 HD21 HG21 ' A' ' 93' ' ' ILE . 33.0 mt -109.26 28.32 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -104.06 139.31 39.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.365 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t 67.45 37.16 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.985 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -126.81 -170.64 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 90' ' ' VAL . 16.2 p -128.54 161.21 30.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.17 . . . . 0.0 110.356 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -42.56 -52.26 4.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.07 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.58 -70.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.223 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 90' ' ' VAL . 5.1 mt-10 -39.92 -64.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.248 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 86' ' ' THR . 45.4 t -40.59 -61.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 95' ' ' SER . 1.4 tt0 -39.16 -59.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.11 -50.65 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.609 HG21 HD21 ' A' ' 82' ' ' LEU . 38.7 mt -54.35 -39.9 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.485 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -77.97 -63.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.24 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -49.31 154.82 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 69.88 102.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -165.17 162.98 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -72.49 -58.54 3.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -168.62 -85.63 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.4 OUTLIER -65.78 169.05 6.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.428 0.722 . . . . 0.0 110.292 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.02 155.33 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.14 138.87 37.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.722 HG21 HD11 ' A' ' 18' ' ' ILE . 14.1 tt -129.99 122.58 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 75' ' ' LEU . 3.3 m -104.5 110.35 22.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 108.363 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 73' ' ' GLN . 28.3 m -105.34 -169.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.532 ' CZ ' ' CB ' ' A' ' 109' ' ' LEU . 1.2 ttp180 -140.94 114.89 9.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.494 ' O ' ' O ' ' A' ' 108' ' ' ASP . 5.4 mt -58.61 -69.76 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 107' ' ' LEU . 34.3 t70 -42.38 169.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.532 ' CB ' ' CZ ' ' A' ' 106' ' ' ARG . 0.2 OUTLIER 77.54 -167.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 171.94 93.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 1.9 mmm . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.65 -57.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 0.744 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -107.56 161.53 14.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.15 -90.45 0.3 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -76.17 104.76 6.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 109.976 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.8 133.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.43 66.78 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.446 ' CG ' ' N ' ' A' ' 9' ' ' TYR . 40.3 t60 -106.12 168.19 9.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 109.61 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.79 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 33.4 m-85 -112.56 170.75 7.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 111.068 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.3 pt -78.47 -23.25 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.79 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 6.6 p90 -105.74 162.17 20.55 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 118.59 5.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -131.41 163.88 26.94 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.23 103.8 8.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.95 99.65 12.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 16' ' ' ILE . 4.1 mp -119.83 143.59 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -98.05 156.9 16.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 100' ' ' GLU . 3.5 mt -121.8 117.61 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.0 147.58 26.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -87.4 140.0 29.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.69 126.21 49.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 m -84.95 103.71 14.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 67.45 146.87 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.365 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -172.64 -61.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.399 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -175.47 64.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.676 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -160.54 165.15 31.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 27' ' ' VAL . 8.8 p -155.21 56.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.3 t -150.04 -57.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.057 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.45 104.38 2.7 Favored Glycine 0 CA--C 1.532 1.121 0 O-C-N 124.42 1.075 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -119.94 163.89 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 0.818 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.61 66.84 0.82 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.1 mt 66.78 151.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.19 55.84 4.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 tt -129.01 127.63 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 53' ' ' ILE . 9.6 mmt180 -124.41 129.75 51.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.404 HG12 HG21 ' A' ' 74' ' ' VAL . 7.3 mt -137.18 133.08 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.597 HG22 ' CE2' ' A' ' 87' ' ' TYR . 10.5 t -107.71 129.9 60.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.505 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -99.47 179.87 30.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.26 43.85 98.85 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.44 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -127.01 127.63 45.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.24 141.75 45.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.433 HG23 ' HD2' ' A' ' 43' ' ' PRO . 20.5 mt -94.95 137.94 22.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.02 100.87 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.764 . . . . 0.0 111.073 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.92 -56.05 0.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.89 151.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.599 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.76 87.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.02 63.2 1.33 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -125.98 150.62 47.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.735 . . . . 0.0 110.311 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.6 pt -101.22 161.89 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.96 -162.81 14.3 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.83 138.27 53.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.44 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 38.3 p90 -135.42 151.62 50.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 72' ' ' MET . 29.8 mt -69.68 100.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.69 -58.43 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -161.17 175.18 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.04 138.14 55.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.44 164.54 18.89 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 98.7 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.92 58.65 10.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.6 -159.54 29.83 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.1 m -74.37 -39.41 62.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 0.793 . . . . 0.0 110.028 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.26 -48.65 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.51 -30.08 70.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.068 . . . . 0.0 110.254 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -44.93 36.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.25 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.3 p -57.71 -49.51 76.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.12 -34.86 5.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -65.72 -63.03 1.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 0.767 . . . . 0.0 109.351 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.411 HD11 HD13 ' A' ' 103' ' ' ILE . 2.6 mm? -44.5 131.22 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 3.5 ttt -137.34 152.27 49.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 69' ' ' MET . 1.6 mt-10 -67.26 145.41 55.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.03 23.59 61.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.515 ' HB2' HD12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -101.67 134.64 44.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -79.24 118.86 21.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.404 HG21 HG12 ' A' ' 36' ' ' ILE . 17.8 t -88.43 111.78 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.421 HD13 ' HE1' ' A' ' 11' ' ' PHE . 5.1 mt -66.34 -53.99 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -145.42 159.31 43.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.224 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.452 ' CE2' HG23 ' A' ' 94' ' ' ILE . 10.1 t-105 -134.71 123.75 24.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 107.984 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 56.35 29.87 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.01 -42.41 2.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.519 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.7 mp -65.5 125.86 90.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.51 36.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.607 HD22 HG13 ' A' ' 90' ' ' VAL . 48.8 mt -109.99 -18.21 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.592 1.182 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 52.5 m -61.48 135.36 57.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m 71.37 42.31 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -132.02 -156.77 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 p -137.92 152.22 48.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.597 ' CE2' HG22 ' A' ' 37' ' ' VAL . 10.1 t80 -38.38 -58.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.368 1.042 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.89 -66.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -40.09 -59.13 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.607 HG13 HD22 ' A' ' 82' ' ' LEU . 87.5 t -50.2 -61.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.39 -58.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -47.53 -48.11 27.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 90' ' ' VAL . 23.3 mt -56.78 -39.08 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.452 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -78.14 -61.87 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 91' ' ' GLN . 5.7 m -66.97 71.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.5 OUTLIER -179.05 70.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -169.6 109.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.8 m -89.25 83.51 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.13 -178.12 17.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -39.04 157.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.276 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.3 164.58 31.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.33 137.92 51.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.412 ' HB ' ' CE3' ' A' ' 77' ' ' TRP . 10.9 tt -127.97 145.4 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' LEU . 34.7 m -125.28 101.24 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -114.63 162.81 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 109.256 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.484 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 63.4 ttt180 -91.61 147.2 23.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 107' ' ' LEU . 13.5 mt -73.07 -80.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 94.8 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.465 HD13 ' H ' ' A' ' 110' ' ' ASN . 0.1 OUTLIER -177.77 136.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.465 ' H ' HD13 ' A' ' 109' ' ' LEU . 13.4 p-10 -149.59 121.72 8.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 7.4 mtt -93.33 -56.31 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.26 88.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.48 157.83 18.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 66.39 5.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.067 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.4 t -97.83 115.52 28.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.66 -59.99 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.85 161.88 29.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.05 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t 67.64 93.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.933 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.57 115.26 0.4 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.442 1.089 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -176.11 112.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.767 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.76 116.16 20.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.7 130.73 12.17 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.08 124.02 43.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.401 0.706 . . . . 0.0 109.574 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.11 -179.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.631 1.207 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.401 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -89.69 -10.92 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -119.0 162.43 31.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 111.059 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 119.83 5.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.509 1.794 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.78 165.43 27.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.574 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.04 149.24 46.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.407 1.067 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.06 84.88 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -104.6 153.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -113.44 160.29 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 4.6 mt -116.22 115.61 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.06 135.38 34.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.418 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.64 98.02 3.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' LYS . 52.8 t0 50.38 67.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER 68.06 -69.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.034 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 22' ' ' SER . 7.1 mttt 168.82 78.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER 174.02 137.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 168.16 156.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.674 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 m -158.36 131.19 7.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 110.421 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.2 t 62.15 122.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 m 63.61 125.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.83 78.65 0.05 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.29 108.24 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' GLY . . . 167.93 -63.47 0.2 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 mt 68.11 -69.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.767 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' GLY . . . 128.68 71.97 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 tt -154.06 132.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.364 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -121.71 112.89 18.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.679 HD13 HG21 ' A' ' 74' ' ' VAL . 11.7 mt -127.71 133.71 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.603 HG13 ' HD2' ' A' ' 87' ' ' TYR . 39.5 t -105.26 117.09 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.09 166.54 29.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.89 10.54 86.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -87.43 146.0 26.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.366 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.06 132.84 41.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.581 HG23 ' HD2' ' A' ' 43' ' ' PRO . 24.5 mt -88.83 140.59 29.43 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.581 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.04 -62.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.22 -68.86 0.66 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -44.76 167.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.726 . . . . 0.0 109.554 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.59 -49.17 10.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.14 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.85 91.49 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -158.97 148.07 18.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.493 HD12 ' O ' ' A' ' 85' ' ' LYS . 5.3 pt -97.81 149.65 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.75 -168.73 23.05 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.451 1.095 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.667 ' HB1' HG22 ' A' ' 36' ' ' ILE . . . -118.94 151.16 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.667 ' C ' HG23 ' A' ' 36' ' ' ILE . 27.6 p90 -151.54 143.55 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.529 HD12 ' HB2' ' A' ' 72' ' ' MET . 67.9 mt -58.11 120.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.95 -52.22 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -141.65 140.46 33.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.449 ' CG1' HG21 ' A' ' 53' ' ' ILE . 3.2 mt -114.1 114.81 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mt -40.61 157.43 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 109.16 2.87 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.484 1.781 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.47 21.58 42.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.74 -159.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.471 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 74.4 m -77.27 -41.05 42.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.11 -34.74 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.89 -30.49 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.42 -51.35 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.9 p -46.51 -53.28 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.31 -32.37 5.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -10.87 57.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -97.19 164.0 12.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.438 ' CG ' ' O ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -172.31 154.29 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.43 157.9 30.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.77 -6.23 75.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.529 ' HB2' HD12 ' A' ' 53' ' ' ILE . 2.8 mmt -78.03 140.54 39.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -91.64 115.42 28.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.679 HG21 HD13 ' A' ' 36' ' ' ILE . 39.7 t -75.31 110.41 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.88 -57.87 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.228 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -137.3 155.94 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.656 ' CD2' HG22 ' A' ' 94' ' ' ILE . 6.0 t-105 -136.57 112.24 9.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 107.983 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 56.92 34.89 25.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.45 -46.17 2.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.098 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.543 ' CG2' HD13 ' A' ' 93' ' ' ILE . 2.7 mp -60.63 119.4 43.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 142.46 28.06 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.974 HD22 HG13 ' A' ' 90' ' ' VAL . 86.4 mt -98.71 -15.13 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' A' ' 84' ' ' SER . 23.4 m -69.15 127.35 32.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 110.396 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 83' ' ' THR . 0.2 OUTLIER 81.13 32.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.493 ' O ' HD12 ' A' ' 49' ' ' ILE . 3.5 mmmt -124.85 -174.82 3.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 57.1 p -121.67 156.45 33.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.343 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.603 ' HD2' HG13 ' A' ' 37' ' ' VAL . 24.0 t80 -39.11 -63.52 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.37 1.044 . . . . 0.0 111.028 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.76 -66.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -39.96 -71.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.546 1.154 . . . . 0.0 110.351 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.974 HG13 HD22 ' A' ' 82' ' ' LEU . 52.0 t -40.92 -63.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.531 ' HA ' HD11 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -46.29 -47.89 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -35.69 77.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.543 HD13 ' CG2' ' A' ' 80' ' ' ILE . 89.4 mt -72.48 -60.21 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.87 HD13 HG12 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -57.26 -34.4 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 91' ' ' GLN . 41.6 m -83.31 179.71 7.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 43.66 60.49 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -126.86 133.48 50.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 t -102.78 142.18 34.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.72 171.18 2.57 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.441 1.088 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -40.6 160.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 0.731 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -138.99 151.14 46.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -107.16 136.4 47.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 tt -128.86 138.96 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 4.0 m -118.47 109.41 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 74' ' ' VAL . 15.9 m -118.39 162.72 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.47 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 22.8 ttt180 -90.24 141.96 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 107' ' ' LEU . 16.2 mt -71.25 -61.83 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.388 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -93.49 88.8 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -177.13 124.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -133.19 141.22 47.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.31 -64.83 1.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.9 t 67.64 128.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -84.62 141.53 19.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 95.16 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.559 1.82 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 t -158.23 123.25 4.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.997 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.72 116.64 26.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.95 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 111.037 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -177.44 -57.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.048 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.81 166.89 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.39 161.46 2.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.398 1.061 . . . . 0.0 111.042 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 t -137.22 86.51 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 110.023 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -155.26 91.64 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.11 116.21 1.04 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -148.08 147.36 29.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 0.81 . . . . 0.0 109.609 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -79.13 155.16 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pp -59.32 -31.73 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -100.49 161.39 24.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 132.1 15.1 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.552 1.817 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.35 168.23 20.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.96 128.81 20.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -103.82 92.35 4.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.13 141.72 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -101.96 156.37 17.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.786 HD11 HD12 ' A' ' 103' ' ' ILE . 4.6 mt -127.33 119.43 52.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.457 ' HA ' ' CB ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -90.8 155.67 18.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.37 -67.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.352 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t0 48.82 80.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.56 -49.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.23 96.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 28' ' ' SER . 2.6 m-20 -55.64 -70.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -167.17 -67.42 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.523 1.14 . . . . 0.0 109.658 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.672 HG22 HG13 ' A' ' 27' ' ' VAL . 1.8 m -159.32 -91.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.383 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.672 HG13 HG22 ' A' ' 26' ' ' THR . 16.0 m -92.96 24.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 0.6 OUTLIER -117.69 113.72 22.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 148.58 118.06 0.95 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.42 1.075 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -60.39 -64.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.7 -152.29 10.83 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.667 ' CD1' ' HB3' ' A' ' 101' ' ' ALA . 16.9 mt -88.1 50.99 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 38.85 67.9 0.52 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.498 HD12 ' HB1' ' A' ' 62' ' ' ALA . 12.4 tt -155.02 140.95 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -114.98 104.95 12.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -113.47 116.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 55.9 t -93.81 122.83 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.31 173.64 24.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.45 30.37 77.4 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.501 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -103.19 138.14 40.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.17 138.69 58.43 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.539 HD11 ' HA3' ' A' ' 50' ' ' GLY . 13.1 mt -107.76 139.97 21.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.95 -72.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.544 1.813 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.14 -50.89 5.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.17 138.75 58.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 0.754 . . . . 0.0 109.6 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -64.13 85.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.02 74.11 0.17 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -139.45 138.51 36.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 85' ' ' LYS . 6.8 pt -79.64 157.39 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.539 ' HA3' HD11 ' A' ' 42' ' ' ILE . . . -167.31 -152.06 7.25 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 37' ' ' VAL . . . -137.13 148.82 46.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 0.801 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 18.7 p90 -151.21 148.11 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.583 HD12 ' HB2' ' A' ' 72' ' ' MET . 3.9 mt -61.34 107.41 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.26 -56.03 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -138.83 143.0 38.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.138 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mt -110.7 106.48 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -41.19 150.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.4 Cg_endo -75.03 137.77 22.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 37.22 52.96 1.67 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.58 -165.8 24.45 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.47 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 68.4 m -77.28 -33.63 55.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.062 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.498 ' HB1' HD12 ' A' ' 34' ' ' ILE . . . -72.4 -48.71 39.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.13 -27.26 67.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -48.96 66.13 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.418 1.074 . . . . 0.0 110.278 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.2 p -51.54 -45.09 62.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.382 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.2 11.59 85.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -109.11 -24.77 11.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.37 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -80.42 144.99 32.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.5 mmt -143.21 151.84 41.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.53 150.25 47.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.05 -35.66 3.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.145 . . . . 0.0 110.961 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.583 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.8 mmm -45.46 135.38 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.458 ' OE1' ' CG2' ' A' ' 42' ' ' ILE . 36.0 tt0 -91.18 114.53 27.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.71 109.63 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' CYS . 3.1 mt -65.18 -58.53 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -137.95 155.85 48.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.593 ' CE3' HG13 ' A' ' 103' ' ' ILE . 15.5 t-105 -127.14 121.89 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 108.076 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.471 HD22 ' CB ' ' A' ' 101' ' ' ALA . 3.5 m120 53.06 29.98 8.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.64 -37.76 3.32 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.662 ' H ' HD12 ' A' ' 80' ' ' ILE . 4.2 mp -69.79 126.9 92.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.69 43.29 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.442 1.759 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.869 HD22 HG13 ' A' ' 90' ' ' VAL . 78.6 mt -118.17 -2.53 11.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.386 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.427 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.9 m -76.67 129.37 36.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 83' ' ' THR . 0.4 OUTLIER 80.49 35.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.72 ' O ' HD12 ' A' ' 49' ' ' ILE . 7.1 mmtt -130.31 -175.79 3.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.8 p -123.47 157.53 33.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -37.75 -58.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.375 1.047 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -50.86 -70.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLU . 2.4 mt-10 -38.85 -65.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.869 HG13 HD22 ' A' ' 82' ' ' LEU . 91.8 t -42.28 -59.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -41.85 -63.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -52.86 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mt -52.34 -43.34 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -74.74 -58.95 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -38.55 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -48.18 109.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.419 ' OE1' ' ND2' ' A' ' 78' ' ' ASN . 53.2 tp60 -160.67 -79.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.86 67.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.77 176.95 14.62 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.457 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -41.85 156.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 110.338 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.667 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . . . -153.61 158.49 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -102.92 169.75 8.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.786 HD12 HD11 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -145.97 152.33 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' LEU . 42.2 t -140.2 88.16 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.522 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -109.34 164.97 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.831 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 28.1 ttp180 -97.36 140.9 31.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 108' ' ' ASP . 48.6 mt -71.68 -99.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 107' ' ' LEU . 17.4 m-20 -43.67 166.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.831 HD22 ' CZ ' ' A' ' 106' ' ' ARG . 9.6 tt 69.1 159.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.211 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.594 ' N ' HD23 ' A' ' 109' ' ' LEU . 41.0 t30 -172.89 137.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.46 94.67 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.02 -176.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -130.68 174.76 19.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 164.77 32.76 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.11 118.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.924 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.13 -59.01 0.65 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.958 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.22 -80.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 0.809 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.21 134.15 7.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.56 -174.48 48.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.11 138.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 0.797 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 p -132.03 -56.17 0.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.38 51.35 5.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.384 1.053 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -143.87 126.98 16.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 0.724 . . . . 0.0 109.559 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.672 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 2.1 m-85 -63.74 162.97 12.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 pp -68.43 -35.22 69.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.672 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 30.0 p90 -87.98 161.73 43.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.39 6.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -145.2 162.48 37.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.566 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.26 136.24 49.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.564 ' C ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -125.31 92.78 3.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.586 ' N ' HD12 ' A' ' 16' ' ' ILE . 4.3 mp -126.16 165.5 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.43 154.69 26.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.752 HD11 HG21 ' A' ' 103' ' ' ILE . 8.3 mm -104.31 117.5 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.39 132.4 46.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -91.03 97.47 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.251 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.3 120.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 t -172.67 123.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.187 . . . . 0.0 109.971 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.69 131.55 8.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -178.32 104.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -104.64 103.84 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -174.55 159.06 2.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.7 137.96 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.57 -59.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.5 -135.49 12.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.078 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -166.05 108.06 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.6 -129.97 0.03 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp -84.51 102.29 12.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 0.794 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.522 ' HA3' HD12 ' A' ' 57' ' ' LEU . . . -78.66 72.29 2.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.604 HD12 ' HB2' ' A' ' 62' ' ' ALA . 11.9 tt -131.91 132.07 61.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -114.68 105.39 13.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' TYR . 75.0 mt -120.57 127.86 75.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -104.89 118.56 52.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.33 163.06 27.41 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.423 1.077 . . . . 0.0 111.062 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.71 51.63 24.23 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -123.2 141.85 51.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -65.83 133.97 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 15.3 mt -98.21 140.01 21.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.05 101.0 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.572 1.827 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.52 78.36 1.09 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -163.05 38.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.602 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.88 40.18 24.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.55 68.32 1.76 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -122.45 156.8 33.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 0.809 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 pt -103.82 160.03 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.33 -160.66 12.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.552 1.158 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.19 142.88 51.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.368 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 27.8 p90 -145.54 164.85 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.448 HG21 HG12 ' A' ' 56' ' ' ILE . 91.7 mt -81.57 116.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.64 -52.24 12.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -148.14 147.38 29.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.451 ' N ' ' CD ' ' A' ' 55' ' ' LYS . 3.4 mt -109.63 112.8 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.522 HD12 ' HA3' ' A' ' 33' ' ' GLY . 7.4 mt -54.54 162.65 1.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 125.56 9.43 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.479 1.779 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 44.13 35.63 3.67 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.28 178.02 53.07 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 m -55.49 -33.13 63.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.771 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 34' ' ' ILE . . . -79.19 -60.06 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.43 -27.14 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -38.93 69.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.474 HG21 HD13 ' A' ' 18' ' ' ILE . 43.2 p -63.12 -46.93 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.07 -39.79 3.08 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -12.78 60.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.783 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.51 HD11 HD13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -90.46 152.83 20.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.96 170.77 19.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.177 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -77.51 157.85 30.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.41 22.22 65.34 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.408 1.068 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.404 ' O ' ' HA ' ' A' ' 52' ' ' TYR . 13.8 mmm -93.43 126.77 38.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -81.58 116.37 21.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.2 t -86.71 111.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 104' ' ' CYS . 11.2 mt -63.22 -55.84 21.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' CG ' ' HA ' ' A' ' 81' ' ' PRO . 2.7 mt-10 -138.94 162.1 35.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.508 ' CE2' HG23 ' A' ' 94' ' ' ILE . 32.9 t-105 -139.04 119.08 13.39 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 60.11 29.67 19.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.92 -46.38 2.27 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.9 mp -64.47 124.48 86.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.0 109.37 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.494 ' HA ' ' CG ' ' A' ' 76' ' ' GLU . 18.7 Cg_endo -74.89 152.35 41.23 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.495 1.787 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.631 HD13 HG13 ' A' ' 90' ' ' VAL . 23.8 mt -114.81 9.98 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.239 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 84' ' ' SER . 30.8 m -84.8 122.14 28.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 83' ' ' THR . 3.0 t 84.25 33.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -123.14 -162.27 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.5 p -135.96 152.12 50.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.59 1.181 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -37.72 -57.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.75 -67.17 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.338 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -41.33 -64.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.665 HG12 HD11 ' A' ' 94' ' ' ILE . 71.1 t -43.87 -57.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.516 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.33 -52.53 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.91 -40.64 80.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.53 HG21 HD21 ' A' ' 82' ' ' LEU . 62.1 mt -62.44 -35.02 67.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.665 HD11 HG12 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -85.07 -66.03 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 91' ' ' GLN . 1.2 t -53.15 153.31 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.066 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 55.16 102.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.99 -163.32 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.33 73.57 0.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.941 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.5 -130.41 20.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 2.2 pp20? -53.33 -179.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.73 149.35 1.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.13 136.24 33.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.752 HG21 HD11 ' A' ' 18' ' ' ILE . 6.7 tt -121.97 112.57 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' LEU . 36.9 m -100.3 103.05 14.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -118.94 163.89 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.703 ' HD3' HD23 ' A' ' 109' ' ' LEU . 71.0 ttt180 -90.58 156.33 18.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 107' ' ' LEU . 11.8 mt -81.6 -85.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -70.14 86.74 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.703 HD23 ' HD3' ' A' ' 106' ' ' ARG . 0.3 OUTLIER -157.25 139.21 14.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.07 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.556 ' N ' HD13 ' A' ' 109' ' ' LEU . 2.9 t-20 -137.89 134.8 35.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.62 69.48 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.9 m -134.56 159.64 40.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -123.29 -145.95 6.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.583 1.177 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.69 3.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.81 141.64 56.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.043 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.9 p -97.46 100.98 12.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.099 . . . . 0.0 110.942 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t 42.82 91.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.85 78.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.24 68.02 0.63 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -110.95 136.98 49.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 109.954 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -99.45 78.22 2.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.963 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.03 102.95 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -146.24 130.06 17.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.797 . . . . 0.0 109.631 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 14.2 m-85 -62.82 167.73 4.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.04 -25.45 27.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 30.5 p90 -96.6 161.66 25.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 125.37 9.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.397 1.735 . . . . 0.0 111.041 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -147.07 169.65 18.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.38 151.54 40.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 28.3 mtm105 -122.72 90.38 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.6 mp -96.93 156.0 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -116.08 130.86 57.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.396 1.06 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.582 HG22 HD22 ' A' ' 32' ' ' LEU . 4.0 mt -91.32 121.2 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.72 126.88 54.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.44 157.91 8.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.89 122.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.87 86.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 110.054 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.18 76.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.712 ' HB3' HG22 ' A' ' 26' ' ' THR . 2.0 m-20 59.38 157.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.12 4.63 37.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 109.551 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.712 HG22 ' HB3' ' A' ' 24' ' ' ASP . 4.7 t -87.63 -19.65 27.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.566 HG23 HG23 ' A' ' 26' ' ' THR . 53.7 t -119.71 136.1 57.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.6 1.188 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.1 m 62.68 172.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.957 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.41 112.21 0.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -120.21 -54.29 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 0.731 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 168.81 167.06 28.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.573 1.171 . . . . 0.0 111.002 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.582 HD22 HG22 ' A' ' 18' ' ' ILE . 98.0 mt -47.07 -52.14 15.86 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 0.751 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.39 76.67 1.03 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 tt -151.0 137.75 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.7 109.9 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.585 HD13 HG21 ' A' ' 74' ' ' VAL . 72.5 mt -118.22 130.41 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.217 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.467 HG22 ' CE2' ' A' ' 87' ' ' TYR . 18.1 t -108.56 131.73 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.79 -171.19 25.46 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.89 36.13 49.69 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.508 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -114.02 137.94 51.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.34 142.36 58.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.506 HD13 ' NE2' ' A' ' 73' ' ' GLN . 22.3 mt -100.8 139.81 20.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.7 Cg_endo -74.92 -47.22 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.441 1.759 . . . . 0.0 111.034 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.81 -65.08 3.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -55.89 168.74 0.42 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 0.785 . . . . 0.0 109.576 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.4 m -109.44 121.24 44.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.973 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 39.69 65.89 0.82 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.03 139.5 23.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 110.228 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.537 HD12 ' O ' ' A' ' 85' ' ' LYS . 4.9 pt -98.71 150.76 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.7 -155.32 7.39 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.44 156.24 43.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 20.4 p90 -160.62 147.06 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.456 HD11 HD12 ' A' ' 68' ' ' LEU . 88.7 mt -56.54 113.02 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.83 -55.27 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -136.91 139.73 41.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LEU . 2.2 mt -107.32 108.98 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.494 1.122 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ILE . 1.2 mm? -40.22 152.69 0.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.1 Cg_endo -75.12 132.69 15.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 36.8 44.46 0.94 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.31 -174.73 40.5 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m -64.54 -32.75 74.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 0.763 . . . . 0.0 110.045 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.08 -61.96 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.94 -23.25 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -56.1 26.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.4 p -42.92 -54.89 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.421 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.24 -38.81 2.98 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -35.81 81.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.497 HD11 HG21 ' A' ' 103' ' ' ILE . 1.1 mm? -69.58 145.32 52.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.76 154.7 24.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.15 157.15 23.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.95 12.76 83.74 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.4 mmt -95.34 119.72 34.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.601 0.824 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.506 ' NE2' HD13 ' A' ' 42' ' ' ILE . 42.8 tt0 -71.19 116.37 11.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 110.353 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 36' ' ' ILE . 40.4 t -80.36 109.83 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.71 -55.41 6.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -140.16 151.13 45.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.655 ' CE2' HG23 ' A' ' 94' ' ' ILE . 31.2 t-105 -128.46 114.22 16.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.442 HD22 ' CB ' ' A' ' 101' ' ' ALA . 6.3 m120 56.36 30.25 16.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.93 -52.67 0.9 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 80' ' ' ILE . 4.8 mp -59.39 126.51 82.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.467 ' O ' HD23 ' A' ' 82' ' ' LEU . 18.4 Cg_endo -75.0 155.78 42.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.593 1.838 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.504 HD13 HG13 ' A' ' 90' ' ' VAL . 58.5 mt -124.0 35.46 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -108.78 140.59 42.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.468 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.07 36.44 9.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.962 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.537 ' O ' HD12 ' A' ' 49' ' ' ILE . 4.2 mmtt -122.4 -157.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.374 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 90' ' ' VAL . 82.2 p -138.96 163.19 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.467 ' CE2' HG22 ' A' ' 37' ' ' VAL . 6.0 t80 -45.55 -62.6 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.0 -63.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -44.67 -64.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.504 HG13 HD13 ' A' ' 82' ' ' LEU . 84.1 t -45.39 -61.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 95' ' ' SER . 15.6 tt0 -41.46 -62.87 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.3 t -40.45 -51.12 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.057 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.563 HD13 ' CG2' ' A' ' 80' ' ' ILE . 29.4 mt -54.81 -42.87 64.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.655 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -75.09 -63.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -54.4 -169.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 78.42 -60.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.459 HE22 ' HB2' ' A' ' 101' ' ' ALA . 1.9 pt20 -70.52 147.34 49.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.312 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.99 101.94 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.919 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 147.66 -163.94 28.79 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.471 1.107 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 16.0 tt0 -49.55 152.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.594 0.82 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.459 ' HB2' HE22 ' A' ' 97' ' ' GLN . . . -163.07 162.6 25.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.76 134.64 54.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.497 HG21 HD11 ' A' ' 68' ' ' LEU . 6.5 tt -121.91 132.94 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 52.1 m -114.5 114.02 25.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.271 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.42 174.72 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.614 1.196 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.639 ' HD2' HD23 ' A' ' 109' ' ' LEU . 26.6 ttm180 -113.81 121.97 45.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.7 mt -52.9 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -76.63 82.48 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.716 HD13 ' H ' ' A' ' 110' ' ' ASN . 0.2 OUTLIER -167.31 148.72 5.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.716 ' H ' HD13 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -155.6 138.84 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.57 120.73 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.22 -64.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.422 1.076 . . . . 0.0 110.043 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.51 -156.42 42.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 134.04 17.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.11 138.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.956 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.6 m -52.92 164.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.8 133.63 53.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.905 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.77 75.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.41 -75.19 1.08 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.5 169.36 24.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.747 . . . . 0.0 109.999 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.55 128.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.4 -164.37 11.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.414 ' ND1' ' CE1' ' A' ' 13' ' ' HIS . 4.7 p80 -158.11 -58.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.774 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.668 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 5.0 m-85 -153.27 159.64 42.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.33 -10.15 13.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.668 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 8.4 p90 -115.87 163.22 21.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.96 5.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.563 1.822 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.414 ' CE1' ' ND1' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -136.08 174.79 10.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.97 150.42 29.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -123.33 95.1 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.7 mp -116.16 119.93 63.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 133.03 34.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 2.4 mt -76.78 119.72 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.29 131.16 55.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 110.445 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -95.08 114.64 26.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -173.27 107.8 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.53 -53.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.48 152.93 48.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.16 155.09 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -159.72 -75.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.573 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t -125.97 -44.5 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.444 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.2 p -47.18 151.99 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.9 t -172.82 87.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.1 132.09 3.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.451 1.094 . . . . 0.0 111.047 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 57.11 95.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 0.8 . . . . 0.0 109.289 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.428 ' O ' HD12 ' A' ' 32' ' ' LEU . . . -168.21 77.22 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -128.72 -79.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.74 87.34 1.97 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.574 HD12 ' HB1' ' A' ' 62' ' ' ALA . 4.9 tt -156.39 135.88 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.581 0.812 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.38 110.55 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.542 HD13 HG21 ' A' ' 74' ' ' VAL . 50.7 mt -117.3 130.51 72.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.02 122.51 61.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.55 179.29 38.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.437 1.086 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.47 47.98 72.94 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.527 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -124.16 127.44 47.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 0.81 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.88 137.8 37.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.5 mt -94.29 117.32 67.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 65.41 6.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.33 -50.87 0.09 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.486 1.116 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -68.59 176.39 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 109.605 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.33 87.57 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.03 73.97 0.23 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -137.32 141.2 41.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.09 144.58 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.23 -142.18 3.56 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.413 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -138.42 143.6 39.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.239 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 23.7 p90 -143.17 148.14 36.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.541 HD12 ' HB2' ' A' ' 72' ' ' MET . 6.1 mt -66.61 108.97 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.28 -55.76 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -137.19 147.95 46.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.437 HG22 ' CD ' ' A' ' 63' ' ' GLU . 2.5 mt -115.83 106.88 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 3.3 mm? -39.93 145.11 0.48 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 60' ' ' GLY . 18.2 Cg_endo -75.04 147.4 33.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 37.56 31.89 0.09 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 58' ' ' PRO . . . -86.38 -171.07 47.54 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.46 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 22.5 m -78.57 -41.44 31.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 110.017 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.574 ' HB1' HD12 ' A' ' 34' ' ' ILE . . . -67.24 -38.47 85.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' CD ' HG22 ' A' ' 56' ' ' ILE . 1.2 tp10 -73.69 -28.93 62.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -51.89 67.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -40.02 -53.48 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.2 -36.89 3.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -68.16 -25.4 65.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.79 140.02 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.1 mtm -155.21 157.86 37.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.3 146.21 54.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.04 6.57 69.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.413 1.07 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.541 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.3 mmt -88.59 123.54 33.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.402 ' NE2' HD23 ' A' ' 75' ' ' LEU . 12.7 tt0 -73.0 116.11 13.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.241 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.651 ' CG1' HD12 ' A' ' 82' ' ' LEU . 82.0 t -74.28 109.7 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.402 HD23 ' NE2' ' A' ' 73' ' ' GLN . 81.6 mt -77.43 -58.56 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 103' ' ' ILE . 0.7 OUTLIER -139.41 152.32 46.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.682 ' HE3' HD13 ' A' ' 103' ' ' ILE . 69.6 t-105 -131.46 117.08 18.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.575 ' N ' HD22 ' A' ' 78' ' ' ASN . 1.3 m-80 51.02 35.45 12.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.84 -45.33 2.33 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.639 HG22 HD13 ' A' ' 93' ' ' ILE . 3.4 mp -64.52 119.49 57.38 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -74.96 156.18 43.14 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.651 HD12 ' CG1' ' A' ' 74' ' ' VAL . 28.8 mt -121.19 39.61 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.2 m -105.15 128.03 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.393 1.058 . . . . 0.0 110.496 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 t 67.14 47.61 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -128.38 178.55 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.8 p -112.94 152.43 29.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -37.81 -57.55 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.183 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.84 -66.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -39.19 -66.7 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.227 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.537 HG13 HD22 ' A' ' 82' ' ' LEU . 46.1 t -43.44 -58.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.2 OUTLIER -45.98 -40.66 10.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.2 t -64.86 -35.76 82.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.639 HD13 HG22 ' A' ' 80' ' ' ILE . 68.3 mt -67.7 -34.99 71.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.59 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -84.81 -61.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 91' ' ' GLN . 2.5 t -38.77 137.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.07 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 74.22 94.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -134.61 153.77 51.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 m -124.07 134.05 53.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 46.62 -142.43 5.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.409 1.068 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.36 179.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.242 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -161.84 162.1 29.26 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.229 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.57 137.72 46.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.682 HD13 ' HE3' ' A' ' 77' ' ' TRP . 2.4 tp -135.77 154.15 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.633 ' H ' HD12 ' A' ' 103' ' ' ILE . 18.0 t -140.63 116.29 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.264 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.8 m -116.67 176.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.645 ' NH2' ' CZ ' ' A' ' 11' ' ' PHE . 27.7 ttm180 -118.58 114.51 22.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.361 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.4 mt -54.22 -68.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -41.07 -72.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.64 131.0 3.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.56 101.28 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.46 74.76 6.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.33 77.83 1.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.412 1.07 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -47.88 159.34 0.6 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.87 0.7 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.64 96.53 2.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.34 129.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.1 . . . . 0.0 111.002 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -169.69 86.51 0.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 0.771 . . . . 0.0 109.987 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -167.02 117.4 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.28 -82.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.41 135.97 55.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 109.985 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t 59.33 108.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.066 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.82 165.92 16.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -110.42 128.86 55.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.621 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.542 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 4.3 m-85 -60.84 175.18 0.51 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -75.0 -26.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.542 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 23.5 p90 -99.89 161.25 24.95 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 127.72 10.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -145.53 172.63 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.615 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -154.0 152.63 30.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -117.93 83.91 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' A' ' 17' ' ' LYS . 2.9 mt -77.64 159.25 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -110.03 147.8 32.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 16.2 mm -104.99 117.16 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.32 129.75 54.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 110.357 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' HG3' HD22 ' A' ' 32' ' ' LEU . 1.2 mtt180 -87.41 135.72 33.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.65 101.96 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.04 85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.63 103.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.01 160.16 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -84.62 -62.29 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.643 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.6 p -72.36 85.64 1.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.342 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.9 t -105.16 135.93 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.0 t -86.04 132.57 34.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.51 -138.29 3.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -141.98 128.32 19.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.27 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.32 174.59 0.04 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.486 HD22 ' HG3' ' A' ' 20' ' ' ARG . 46.2 mt -91.18 63.55 5.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 0.811 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 41.72 39.74 2.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.455 HD12 ' HB2' ' A' ' 62' ' ' ALA . 19.5 tt -131.45 136.53 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -109.35 107.59 17.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.651 HD13 HG21 ' A' ' 74' ' ' VAL . 96.6 mt -121.79 122.09 65.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.659 HG22 ' CE2' ' A' ' 87' ' ' TYR . 24.2 t -99.66 127.89 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.0 -168.64 33.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.525 1.141 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.62 38.66 29.18 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 1.6 tptp -110.97 141.1 44.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.02 131.64 39.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 43' ' ' PRO . 9.4 mt -92.95 140.21 23.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 128.07 11.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.07 -41.54 2.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 0.0 111.045 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.74 143.67 46.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 0.805 . . . . 0.0 109.596 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.69 93.48 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.27 68.92 0.79 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.56 145.89 39.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 6.2 pt -108.14 167.34 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.596 1.185 . . . . 0.0 109.227 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.62 -150.48 6.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -137.49 146.5 44.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -150.81 151.51 32.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.568 HD12 ' HB2' ' A' ' 72' ' ' MET . 7.7 mt -66.34 117.51 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.38 -52.03 10.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 28.7 tptt -158.58 125.23 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.852 HD12 ' HG3' ' A' ' 70' ' ' GLU . 3.6 mt -74.62 97.92 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' ILE . 1.4 mp -40.5 152.68 0.23 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 60' ' ' GLY . 18.3 Cg_endo -74.96 150.46 38.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.553 1.817 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.45 30.48 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.434 1.084 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' PRO . . . -89.65 179.3 44.47 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.44 ' HB3' HG22 ' A' ' 18' ' ' ILE . 52.9 m -70.85 -26.0 63.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 0.809 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.455 ' HB2' HD12 ' A' ' 34' ' ' ILE . . . -77.99 -52.74 8.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -58.07 -20.08 36.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.593 1.183 . . . . 0.0 110.363 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.71 -58.6 7.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.076 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 65' ' ' THR . 81.4 p -39.35 -50.84 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.13 -32.11 5.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -74.38 -39.54 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.358 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.19 139.79 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mtt -137.86 133.15 33.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.958 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.852 ' HG3' HD12 ' A' ' 56' ' ' ILE . 4.7 mp0 -53.45 148.56 8.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.72 5.86 83.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.147 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.568 ' HB2' HD12 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -84.76 117.68 23.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.957 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.472 ' NE2' HD13 ' A' ' 42' ' ' ILE . 19.9 tt0 -67.74 123.58 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.651 HG21 HD13 ' A' ' 36' ' ' ILE . 39.4 t -87.59 109.59 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.5 mt -72.38 -54.66 8.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -141.32 159.54 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.678 ' CD2' HG23 ' A' ' 94' ' ' ILE . 34.9 t-105 -134.37 104.14 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 66.27 29.63 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.13 -54.86 0.68 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.491 HG22 HD13 ' A' ' 93' ' ' ILE . 3.4 mp -56.31 119.9 31.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 150.25 38.23 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.544 1.813 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.708 HD13 HG13 ' A' ' 90' ' ' VAL . 84.6 mt -114.07 34.01 4.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.4 m -107.92 126.13 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.431 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.55 42.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -126.95 -156.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.48 ' O ' HG23 ' A' ' 90' ' ' VAL . 29.5 p -134.0 153.17 51.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 110.361 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.659 ' CE2' HG22 ' A' ' 37' ' ' VAL . 4.2 t80 -40.79 -52.38 3.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.394 1.059 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.66 -66.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.179 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -39.86 -60.95 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.708 HG13 HD13 ' A' ' 82' ' ' LEU . 87.3 t -43.11 -64.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -37.55 -64.23 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.361 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.35 -54.43 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.515 HG21 HD21 ' A' ' 82' ' ' LEU . 33.4 mt -51.14 -41.42 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.364 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.678 HG23 ' CD2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -76.84 -62.68 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -52.86 162.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.984 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 70.57 70.95 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.398 1.062 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -173.45 76.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -96.35 74.08 2.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 175.63 45.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 3.7 tt0 68.24 148.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -150.42 162.1 41.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.71 134.66 49.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.452 HG21 HD11 ' A' ' 18' ' ' ILE . 3.6 tt -121.03 128.82 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 50.3 t -107.98 103.07 12.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.6 m -114.97 159.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.698 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 12.4 ttp85 -95.58 135.97 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' ASP . 20.9 mt -67.72 -96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -48.46 175.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.698 HD22 ' CZ ' ' A' ' 106' ' ' ARG . 7.7 tt 59.48 156.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.242 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.558 ' N ' HD23 ' A' ' 109' ' ' LEU . 2.7 m120 -154.41 163.87 39.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.76 144.03 26.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.49 -66.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.076 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 117.43 -145.18 18.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.91 -55.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.4 m -47.86 104.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.986 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.0 t -131.97 90.87 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m -126.73 118.67 25.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.036 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.15 111.02 22.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.81 -170.5 0.09 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t 70.4 112.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 0.803 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.48 128.56 55.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.47 113.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -166.85 127.19 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.618 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.713 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 2.4 m-85 -56.84 177.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pt -85.77 -19.86 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.713 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 28.0 p90 -103.53 161.52 22.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.758 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.7 Cg_endo -74.93 120.16 5.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -136.4 -173.05 3.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.49 125.81 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.453 1.096 . . . . 0.0 109.394 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -92.23 86.83 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.492 ' CD1' ' CB ' ' A' ' 67' ' ' LYS . 85.1 mt -85.95 147.34 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.3 161.23 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.682 HD11 ' CG2' ' A' ' 103' ' ' ILE . 12.9 mm -119.69 115.72 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.647 HG22 ' HG2' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -113.71 127.05 55.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -56.66 115.33 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 22' ' ' SER . 42.6 t0 -52.66 -49.54 65.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 0.9 OUTLIER 163.48 -84.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -117.21 -68.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 49.37 86.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.177 . . . . 0.0 109.334 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 72.72 -87.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.6 p -47.95 120.19 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 28' ' ' SER . 1.0 OUTLIER -82.83 -45.85 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.434 ' N ' ' CG1' ' A' ' 27' ' ' VAL . 0.6 OUTLIER -143.72 122.02 12.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.08 141.44 11.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.426 1.079 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.67 91.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 0.797 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.3 -49.93 0.95 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mp -62.63 111.02 1.9 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.97 83.49 0.69 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.619 HD12 ' CB ' ' A' ' 62' ' ' ALA . 6.2 tt -144.94 132.58 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -117.27 105.19 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.239 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.552 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 54.3 mt -113.05 132.26 62.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.496 HG22 ' CE2' ' A' ' 87' ' ' TYR . 4.1 t -107.5 124.53 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.89 151.42 18.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.568 1.167 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.59 8.65 54.35 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -87.99 136.57 32.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -73.48 125.42 27.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.6 mt -77.71 135.42 64.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' CD ' ' HG2' ' A' ' 111' ' ' MET . 18.3 Cg_endo -75.0 66.53 6.02 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.0 79.59 0.3 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.22 43.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.657 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.11 58.91 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.072 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.27 67.86 1.01 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.461 1.1 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -128.84 141.49 51.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.4 pt -86.78 175.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 177.85 -159.37 25.11 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.552 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -125.56 148.41 48.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.783 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -152.18 148.74 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.756 HD11 HD12 ' A' ' 68' ' ' LEU . 40.8 mt -57.25 113.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.2 -54.16 4.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -134.72 144.46 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 69' ' ' MET . 2.5 mt -119.73 107.36 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -40.96 151.05 0.28 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 99.63 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.58 45.25 90.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.51 -147.22 17.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.594 0.82 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 m -80.67 -36.4 32.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.619 ' CB ' HD12 ' A' ' 34' ' ' ILE . . . -76.55 -57.32 3.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -51.71 -25.18 6.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -58.84 6.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.9 p -41.58 -59.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.75 -52.25 0.65 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.558 1.161 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' CB ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.24 -29.83 64.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.576 0.81 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.756 HD12 HD11 ' A' ' 53' ' ' ILE . 2.9 mm? -73.89 126.52 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 2.0 ttp -151.62 152.4 32.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 69' ' ' MET . 1.4 mt-10 -55.33 150.85 10.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.75 -5.53 84.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.1 mmm -82.86 125.28 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.76 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.548 ' NE2' HD23 ' A' ' 75' ' ' LEU . 11.5 tm0? -69.76 146.67 51.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 110.264 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.595 ' CG1' HD12 ' A' ' 82' ' ' LEU . 93.7 t -115.53 110.08 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.548 HD23 ' NE2' ' A' ' 73' ' ' GLN . 16.3 mt -81.73 -56.93 3.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 26.7 mt-10 -138.15 150.49 46.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.723 ' CE2' HG23 ' A' ' 94' ' ' ILE . 16.2 t-105 -129.15 107.26 9.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.2 m-20 69.82 29.73 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.72 -47.05 1.57 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 80' ' ' ILE . 4.5 mp -64.38 127.7 92.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 18.3 Cg_endo -75.03 154.55 42.41 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.468 1.773 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.736 HD22 HG13 ' A' ' 90' ' ' VAL . 74.0 mt -120.65 33.09 5.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -109.29 140.33 43.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t 67.9 32.18 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.033 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -121.03 -164.35 1.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.4 p -131.87 156.66 45.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.496 ' CE2' HG22 ' A' ' 37' ' ' VAL . 8.3 t80 -38.63 -62.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -48.21 -69.62 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' VAL . 26.5 mt-10 -38.84 -67.38 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.736 HG13 HD22 ' A' ' 82' ' ' LEU . 72.0 t -40.08 -63.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.7 OUTLIER -39.38 -62.11 0.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -54.32 3.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 80' ' ' ILE . 32.3 mt -50.48 -38.39 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.723 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -80.75 -61.5 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -37.33 -47.23 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -68.0 112.75 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.423 ' OE1' ' ND2' ' A' ' 78' ' ' ASN . 55.5 tp60 -179.08 148.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.3 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.84 80.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . 132.63 51.58 0.09 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.647 ' HG2' HG22 ' A' ' 19' ' ' THR . 3.3 mp0 60.27 145.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -135.2 166.54 22.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.1 mt-10 -109.75 136.08 49.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.682 ' CG2' HD11 ' A' ' 18' ' ' ILE . 14.3 tt -118.97 131.04 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.8 t -106.96 115.03 29.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 108.287 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.614 HG11 HD13 ' A' ' 68' ' ' LEU . 27.6 m -113.17 159.93 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.554 ' HD2' HD12 ' A' ' 109' ' ' LEU . 34.9 ttm180 -110.24 104.75 13.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.758 HD12 ' HB2' ' A' ' 12' ' ' PRO . 14.7 mt -40.48 -71.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.35 -169.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 110' ' ' ASN . 0.4 OUTLIER 65.07 -83.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.17 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.735 ' N ' HD13 ' A' ' 109' ' ' LEU . 4.0 m120 61.59 143.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.403 ' HG2' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -98.22 89.58 4.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.056 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.7 m 63.25 108.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.1 -144.87 8.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.064 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 96.64 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.0 p -100.25 154.17 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.049 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.4 t -76.14 152.72 36.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.983 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -121.67 116.77 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.034 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.37 -82.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.89 83.59 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -40.76 133.38 2.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 110.022 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 m -102.21 89.78 3.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.64 -161.41 31.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.451 1.094 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -106.23 -78.47 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 0.0 109.666 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.616 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -119.6 173.34 7.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 pt -59.23 -36.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.616 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 4.6 p90 -92.33 161.66 32.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.4 Cg_endo -75.05 138.54 23.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.22 169.06 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.616 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.05 108.4 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 98.09 9.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 mm -127.68 154.1 37.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -111.06 127.39 55.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.233 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -88.14 117.95 32.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.82 133.25 51.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -71.49 114.65 9.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.278 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -63.21 128.42 35.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 50.28 74.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 90.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.34 143.84 30.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -74.0 96.26 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.7 m -136.56 147.46 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -59.48 146.39 9.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -39.64 110.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.051 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.37 -103.36 0.42 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -116.79 158.43 23.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.793 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.19 166.87 33.57 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.48 1.112 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 99' ' ' GLY . 1.0 OUTLIER 71.18 -62.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 0.805 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.462 ' CA ' ' HG ' ' A' ' 57' ' ' LEU . . . 79.3 69.55 1.39 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.565 HD12 ' CB ' ' A' ' 62' ' ' ALA . 2.7 tt -151.74 128.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.06 117.49 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -119.93 129.92 74.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.5 121.5 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.69 -177.22 39.8 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.21 57.06 6.57 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.4 138.78 51.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 0.728 . . . . 0.0 109.355 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.54 133.52 55.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.508 HD13 HE22 ' A' ' 73' ' ' GLN . 18.2 mt -93.66 139.97 22.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.92 -63.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.54 1.811 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.61 -51.96 3.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -70.08 168.85 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.636 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -53.02 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.09 92.6 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -161.45 139.44 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.1 pt -96.8 139.46 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.96 -159.5 8.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.26 144.93 51.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 0.803 . . . . 0.0 109.37 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -146.86 151.99 37.97 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 0.0 111.058 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.6 mt -71.91 108.15 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.27 -55.58 31.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -157.17 175.53 13.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mt -115.26 152.17 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.462 ' HG ' ' CA ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -81.97 154.14 70.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 102.32 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.529 1.805 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.08 43.98 37.84 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.47 -173.93 35.43 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.9 m -71.05 -39.95 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 110.044 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.565 ' CB ' HD12 ' A' ' 34' ' ' ILE . . . -65.47 -36.29 83.43 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -30.74 64.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -56.07 26.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.4 p -39.9 -59.88 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.22 -11.2 72.71 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.164 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 -28.07 21.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.32 157.42 34.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mtt -147.88 147.85 30.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.95 151.51 47.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.78 32.79 74.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.64 138.59 40.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.508 HE22 HD13 ' A' ' 42' ' ' ILE . 53.2 tt0 -86.09 122.36 30.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.98 118.98 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.32 -51.8 14.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -145.38 162.08 38.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.714 ' CD2' HG22 ' A' ' 94' ' ' ILE . 1.4 t-105 -135.62 115.54 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 58.1 30.19 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.69 -47.42 1.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.671 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.2 mp -58.27 125.29 74.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.577 0.81 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.47 32.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.586 1.835 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.712 HD13 HG13 ' A' ' 90' ' ' VAL . 58.3 mt -115.46 24.75 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.6 m -103.15 138.5 39.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.9 t 66.83 30.52 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -114.48 -154.65 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 p -139.31 152.03 46.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.363 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -37.24 -60.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -48.04 -67.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' VAL . 17.6 mt-10 -38.51 -71.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.712 HG13 HD13 ' A' ' 82' ' ' LEU . 59.9 t -39.51 -46.39 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.517 ' HA ' HD11 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -62.8 -50.96 68.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 t -57.63 -29.67 64.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.028 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.61 -59.92 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.714 HG22 ' CD2' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -58.74 -31.81 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 91' ' ' GLN . 30.9 t -66.75 151.79 46.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.011 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 66.01 -160.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 75.5 43.32 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.16 -171.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.474 ' O ' HD13 ' A' ' 32' ' ' LEU . . . -66.74 -82.89 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 100' ' ' GLU . 0.7 OUTLIER -44.87 164.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.322 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.484 ' HB1' ' CZ2' ' A' ' 77' ' ' TRP . . . -173.54 162.41 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -113.05 136.54 52.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.649 HD12 ' CE3' ' A' ' 77' ' ' TRP . 4.3 tt -127.39 144.08 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 51.2 t -124.21 97.52 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 108.341 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.508 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -111.42 163.91 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.508 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 56.0 ttt180 -92.74 150.64 20.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 107' ' ' LEU . 13.1 mt -75.4 -77.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.57 92.87 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.59 124.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -117.92 155.39 30.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.384 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.82 110.91 4.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.65 161.7 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.52 -173.24 36.91 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.545 1.153 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.39 4.27 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.559 1.821 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.9 m -106.67 111.08 23.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.38 114.07 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -72.62 -58.99 2.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.79 . . . . 0.0 110.044 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 t -113.6 -55.52 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.042 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.4 150.19 7.36 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.63 164.78 11.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.42 139.92 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.962 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.06 177.61 53.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -159.66 132.68 6.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 0.818 . . . . 0.0 109.52 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.628 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 1.7 m-85 -63.56 165.02 8.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 111.046 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.5 pt -69.52 -26.03 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.083 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.628 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 46.6 p90 -99.34 162.19 22.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.625 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.3 Cg_endo -74.97 117.65 4.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.413 ' ND1' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -141.28 173.62 11.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.569 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.83 143.62 25.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -110.79 101.22 9.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.315 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.9 mp -117.35 109.34 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.492 ' HD3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -84.66 128.84 34.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 61' ' ' SER . 3.5 mt -76.95 120.81 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.757 HG22 ' HG2' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -105.26 135.17 47.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.51 139.27 41.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.16 170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.26 101.37 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.536 1.148 . . . . 0.0 109.959 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -116.7 157.74 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.27 151.26 0.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -64.56 -67.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.68 HG23 HG23 ' A' ' 27' ' ' VAL . 11.7 t -101.3 157.59 16.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 110.372 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.68 HG23 HG23 ' A' ' 26' ' ' THR . 13.9 t 69.64 -69.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 26' ' ' THR . 32.9 t 66.2 -72.82 0.08 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . 65.85 92.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -171.61 -46.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.88 124.07 0.03 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.448 HD12 ' HG3' ' A' ' 97' ' ' GLN . 1.2 mp -47.54 -71.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.25 84.06 0.51 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.427 HG21 ' CH2' ' A' ' 77' ' ' TRP . 2.9 tt -156.66 127.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.454 0.737 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.82 112.78 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.595 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 67.8 mt -120.4 128.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.58 HG22 ' CE2' ' A' ' 87' ' ' TYR . 26.0 t -100.08 117.44 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.52 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -89.62 -171.96 45.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.553 1.158 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.24 18.43 9.62 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.553 ' HG2' ' CE1' ' A' ' 52' ' ' TYR . 22.1 tptm -89.87 145.87 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.747 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.616 ' HG2' ' HE2' ' A' ' 45' ' ' HIS . 3.7 tt0 -75.1 127.76 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.722 HG23 ' HD2' ' A' ' 43' ' ' PRO . 13.7 mt -72.12 142.4 84.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.722 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.02 57.56 4.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.84 92.6 0.71 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.382 1.051 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.616 ' HE2' ' HG2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -156.41 -179.42 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 109.59 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -106.84 54.11 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.84 72.56 0.99 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.084 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.885 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -137.59 -153.42 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 0.729 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.885 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -176.77 128.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.72 -169.27 12.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.595 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -119.52 148.91 42.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 28.5 p90 -141.56 155.98 45.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.622 HD12 ' HB2' ' A' ' 72' ' ' MET . 31.0 mt -67.83 116.96 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.411 1.069 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.64 -53.51 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -154.03 136.8 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' LEU . 3.4 mt -78.18 90.55 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.748 HD13 ' HD2' ' A' ' 58' ' ' PRO . 0.9 OUTLIER -38.25 142.62 0.46 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.748 ' HD2' HD13 ' A' ' 57' ' ' LEU . 18.4 Cg_endo -75.07 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.03 -62.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.05 5.39 8.9 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.4 m -82.47 -54.71 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.36 -16.81 19.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -79.55 -18.36 51.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' THR . 0.6 OUTLIER -75.95 -51.77 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' GLN . 38.6 p -37.7 -53.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.354 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.1 -40.19 3.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.27 -15.22 32.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -86.62 145.59 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.2 mtm -153.66 147.23 25.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.88 149.06 45.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.98 -9.87 70.59 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.622 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.5 mmt -62.64 119.79 9.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 0.787 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.35 101.42 0.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.544 HG21 HD13 ' A' ' 36' ' ' ILE . 99.5 t -72.31 110.74 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.357 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.49 -54.38 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 17.4 mt-10 -140.35 159.77 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.722 ' HE3' HD13 ' A' ' 103' ' ' ILE . 30.5 t-105 -140.08 118.0 11.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.436 ' O ' HD12 ' A' ' 80' ' ' ILE . 4.4 m-80 60.13 29.68 19.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.52 -42.96 2.38 Favored Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.651 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.2 mp -67.98 127.17 93.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.413 0.714 . . . . 0.0 109.215 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.449 ' O ' HD23 ' A' ' 82' ' ' LEU . 18.0 Cg_endo -75.1 156.67 42.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.676 HD13 HG13 ' A' ' 90' ' ' VAL . 75.8 mt -122.83 34.83 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -104.81 139.35 39.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.494 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.82 39.1 8.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.988 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -125.05 -172.31 2.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' TYR . 23.7 p -126.78 153.43 45.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.415 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.58 ' CE2' HG22 ' A' ' 37' ' ' VAL . 14.9 t80 -37.06 -54.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.063 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -54.12 -72.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.565 1.166 . . . . 0.0 110.342 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' GLU . 20.7 mt-10 -37.73 -65.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.676 HG13 HD13 ' A' ' 82' ' ' LEU . 75.7 t -40.46 -60.77 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -45.32 -43.03 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -35.36 77.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.531 HD13 HG22 ' A' ' 80' ' ' ILE . 59.6 mt -70.89 -36.97 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.608 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -81.92 -69.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.369 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 91' ' ' GLN . 80.5 p -40.92 158.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 72.72 66.24 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.448 ' HG3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -127.35 167.33 16.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 98.6 p -156.95 99.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.81 -147.51 16.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.757 ' HG2' HG22 ' A' ' 19' ' ' THR . 0.2 OUTLIER -61.44 -175.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.35 122.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 142.34 38.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.722 HD13 ' HE3' ' A' ' 77' ' ' TRP . 2.7 tp -138.69 153.62 25.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.649 ' H ' HD12 ' A' ' 103' ' ' ILE . 38.7 t -133.65 125.55 28.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 108.373 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.3 m -135.92 146.48 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -91.19 122.6 33.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 12' ' ' PRO . 29.6 mt -46.34 -64.55 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.83 175.34 5.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.45 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 0.2 OUTLIER 63.89 137.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -154.65 131.12 10.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 8.0 mtt -75.22 118.62 18.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.423 1.077 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.09 115.04 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.997 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.54 142.48 19.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 164.68 32.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.68 140.59 33.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.5 m -116.36 119.1 34.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.032 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.11 160.22 7.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 0.797 . . . . 0.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -96.47 156.36 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.89 145.74 4.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -69.3 -56.51 7.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.754 . . . . 0.0 109.986 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t 59.56 92.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.046 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.8 125.05 7.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -155.52 136.16 13.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.773 . . . . 0.0 109.582 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.753 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 7.0 m-85 -76.5 177.97 6.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pt -79.78 -14.3 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.753 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 35.9 p90 -111.66 161.79 23.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.806 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.3 Cg_endo -75.02 117.68 4.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.27 167.94 20.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.595 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.75 139.26 23.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -106.85 100.5 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mp -113.31 109.63 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.395 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 132.66 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.451 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 3.4 mt -78.53 120.45 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.0 150.47 27.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -76.84 -51.34 11.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.76 -83.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t 56.12 91.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.03 -73.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.2 121.51 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.95 80.25 2.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.611 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.6 p -132.35 87.14 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.3 t -114.21 129.77 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.0 p -152.83 -62.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.003 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.47 100.23 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.064 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -158.44 -51.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.2 -168.79 47.48 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.499 1.125 . . . . 0.0 110.98 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mp -75.93 152.4 37.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.81 100.58 0.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.599 1.187 . . . . 0.0 110.993 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.443 HD11 HG12 ' A' ' 53' ' ' ILE . 13.7 tt -148.89 138.52 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 0.767 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -113.26 105.6 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.456 HG22 ' HB1' ' A' ' 51' ' ' ALA . 96.5 mt -112.11 117.98 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.225 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 32.4 t -90.1 133.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.33 173.01 20.97 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.96 42.89 94.54 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -120.99 134.71 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.05 131.91 50.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.45 HD11 ' HA3' ' A' ' 50' ' ' GLY . 22.2 mt -92.49 112.36 55.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.576 ' O ' HD11 ' A' ' 109' ' ' LEU . 18.1 Cg_endo -75.0 60.35 5.42 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.798 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.5 -42.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.428 1.08 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.41 52.63 2.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 0.0 109.552 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.27 -79.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.975 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.33 55.15 0.2 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -109.87 148.33 31.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.2 pt -82.86 156.95 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.45 ' HA3' HD11 ' A' ' 42' ' ' ILE . . . -168.17 -167.16 28.42 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.559 1.162 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.549 ' HB3' HD13 ' A' ' 82' ' ' LEU . . . -118.84 145.76 45.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 0.822 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 14.8 p90 -150.27 160.27 43.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.443 HG12 HD11 ' A' ' 34' ' ' ILE . 19.8 mt -66.14 119.24 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.58 -52.56 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 tptm -133.93 142.44 47.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.229 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mt -118.12 106.59 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.343 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mp -40.5 153.26 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.3 Cg_endo -75.06 140.35 25.19 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 37.57 50.18 1.84 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.28 -173.76 32.73 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.451 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 17.7 m -74.1 -36.73 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.27 -42.54 65.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.44 -20.64 63.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.04 -53.77 40.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.5 p -38.78 -44.71 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.08 -39.9 3.1 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -16.2 64.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.323 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.85 140.72 29.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.55 156.08 31.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.69 150.92 39.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.35 -23.92 19.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mmt -61.11 121.99 13.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -70.55 129.02 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.714 HG13 ' CD1' ' A' ' 103' ' ' ILE . 53.6 t -93.7 109.99 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.9 mt -71.42 -51.84 21.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.596 1.185 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -145.37 149.63 35.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.663 ' NE1' HG23 ' A' ' 94' ' ' ILE . 68.6 t-105 -122.56 133.18 54.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 108.019 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.856 ' OD1' HD12 ' A' ' 80' ' ' ILE . 17.1 p30 43.82 28.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 88.55 -34.45 3.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.856 HD12 ' OD1' ' A' ' 78' ' ' ASN . 13.8 mt -65.56 123.21 83.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 98.69 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.572 HD11 HG12 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -82.85 5.71 20.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.4 m -77.96 145.85 35.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t 63.83 31.39 14.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.54 -153.94 0.53 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.7 p -131.3 149.94 52.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -39.8 -43.77 1.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.18 -67.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' VAL . 3.6 mt-10 -38.88 -66.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.56 HG22 ' HB2' ' A' ' 82' ' ' LEU . 74.3 t -39.7 -63.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.2 OUTLIER -42.02 -64.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.3 t -44.08 -43.9 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.542 HD13 ' CG2' ' A' ' 80' ' ' ILE . 25.7 mt -62.38 -42.04 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.663 HG23 ' NE1' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -75.63 -67.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -60.56 83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.061 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 94' ' ' ILE . 2.5 tt0 -177.19 -47.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -57.17 172.79 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.97 149.41 17.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.04 -79.15 1.83 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.137 . . . . 0.0 111.001 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.85 149.94 42.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -140.38 145.36 36.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.48 152.29 20.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.714 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.2 tp -148.32 150.66 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.18 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.9 t -134.01 109.69 9.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.1 m -117.07 144.61 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.412 ' NH2' ' CD1' ' A' ' 11' ' ' PHE . 23.6 ttm180 -87.51 122.8 31.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.806 HD12 ' HB2' ' A' ' 12' ' ' PRO . 33.8 mt -47.77 -61.95 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -71.34 174.17 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 43' ' ' PRO . 0.3 OUTLIER 71.87 172.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 t30 174.28 119.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.3 138.48 39.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.89 139.36 39.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.052 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.47 -167.51 14.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 149.77 37.46 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.7 -16.09 14.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.2 m -163.62 167.89 20.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -176.5 115.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.78 . . . . 0.0 109.98 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.91 159.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.46 -161.45 13.04 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -74.51 171.13 14.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 m 62.83 150.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.969 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.51 -149.51 8.11 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -161.97 133.96 5.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 0.749 . . . . 0.0 109.598 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.705 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 4.9 m-85 -67.01 173.52 3.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pt -78.5 -15.75 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.705 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 25.8 p90 -108.14 161.9 21.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.87 6.84 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -140.57 164.05 31.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' HB1' ' CD1' ' A' ' 16' ' ' ILE . . . -128.65 103.57 7.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -92.02 89.23 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.429 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 3.8 mp -117.53 136.09 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.917 ' HD3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -87.43 137.28 32.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.411 HD12 ' CB ' ' A' ' 62' ' ' ALA . 36.3 mm -63.9 121.17 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.917 HG23 ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -114.91 138.57 50.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -96.95 157.15 16.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -97.04 152.54 18.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.45 136.21 2.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' HIS . 7.5 tptt -141.85 -54.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 69.92 -64.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' LYS . 1.6 t-160 -56.97 173.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.624 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.6 m 63.53 138.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.3 m -65.96 174.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.7 m -100.16 88.05 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.49 -132.67 3.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.16 105.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 0.782 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.49 177.28 16.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.059 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp 71.87 145.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.32 107.79 0.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.418 1.074 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 tt -155.03 127.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.37 106.05 16.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.402 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 62.3 mt -118.14 118.42 58.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.3 t -91.67 128.88 43.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.542 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -110.39 138.81 15.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.38 5.61 20.91 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 143.65 28.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.55 127.67 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.5 mt -71.75 116.73 51.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 60.13 5.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.504 ' HA3' HD11 ' A' ' 109' ' ' LEU . . . -168.41 -49.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.91 155.18 40.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 109.609 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 m -42.52 -40.77 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.12 85.04 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -139.65 142.23 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 85' ' ' LYS . 43.8 pt -90.02 155.84 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.26 -126.85 0.93 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.43 1.082 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -153.61 146.94 24.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.405 ' HA ' ' O ' ' A' ' 72' ' ' MET . 19.9 p90 -146.38 147.62 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.774 HD12 ' HB2' ' A' ' 72' ' ' MET . 18.1 mt -67.9 122.23 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.74 -51.27 6.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -153.75 145.78 23.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.38 1.05 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LEU . 3.6 mt -91.59 90.29 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.561 HD13 ' HD2' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -39.71 139.12 0.95 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.561 ' HD2' HD13 ' A' ' 57' ' ' LEU . 18.3 Cg_endo -74.97 98.37 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.21 -60.52 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . 123.61 3.84 8.36 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 19' ' ' THR . 7.3 m -82.78 -54.61 4.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.036 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' CB ' HD12 ' A' ' 18' ' ' ILE . . . -98.04 -24.62 15.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.45 -21.06 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -74.61 -54.52 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 64' ' ' GLN . 77.7 p -37.44 -53.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.373 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.26 -40.88 3.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.064 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -57.21 -19.34 20.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 0.78 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.426 HD11 HG21 ' A' ' 103' ' ' ILE . 2.1 mm? -82.89 131.75 35.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.389 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.2 mmt -140.9 147.94 39.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 111.033 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -64.48 152.9 40.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.98 -2.25 70.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.774 ' HB2' HD12 ' A' ' 53' ' ' ILE . 2.7 mmm -72.51 125.57 27.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -72.86 104.72 4.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.32 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.501 ' HA ' HG12 ' A' ' 105' ' ' VAL . 53.3 t -72.18 110.33 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.2 mt -77.48 -57.79 3.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 73.0 mt-10 -132.35 157.01 45.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.66 ' CE3' HG12 ' A' ' 103' ' ' ILE . 18.6 t-105 -145.91 113.78 6.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 107.96 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.579 ' O ' HD12 ' A' ' 80' ' ' ILE . 2.2 m120 61.19 33.27 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.76 -47.44 3.21 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.436 1.085 . . . . 0.0 111.064 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.669 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.0 mp -66.09 121.81 78.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -75.02 156.02 42.87 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.596 HD13 HG13 ' A' ' 90' ' ' VAL . 38.5 mt -116.23 35.62 4.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -109.04 138.36 45.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 t 69.65 32.98 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.464 ' O ' HD12 ' A' ' 49' ' ' ILE . 8.0 mmtt -123.93 -158.64 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.1 p -143.25 162.55 35.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.461 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -38.85 -60.54 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.5 mt-10 -50.81 -71.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.228 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -38.79 -66.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.596 HG13 HD13 ' A' ' 82' ' ' LEU . 71.9 t -40.72 -61.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -41.5 -63.93 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -41.49 -51.78 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.524 HD13 HG22 ' A' ' 80' ' ' ILE . 36.0 mt -52.84 -40.66 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.6 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -78.63 -63.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.5 OUTLIER -65.04 92.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 175.79 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -52.49 176.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -149.32 151.06 33.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.025 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.73 -176.91 0.97 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -39.42 135.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 0.721 . . . . 0.0 110.292 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -134.61 179.78 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.99 155.82 17.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.66 HG12 ' CE3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -140.22 154.22 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.0 t -150.34 98.51 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 108.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' A' ' 74' ' ' VAL . 18.9 m -121.51 161.11 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 108' ' ' ASP . 47.1 ttt85 -90.21 132.62 35.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.37 -61.5 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.425 ' O ' ' CD ' ' A' ' 106' ' ' ARG . 9.0 t70 -80.86 161.11 24.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.504 HD11 ' HA3' ' A' ' 44' ' ' GLY . 1.7 tt 70.55 127.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.503 ' N ' HD23 ' A' ' 109' ' ' LEU . 15.9 p30 -139.22 143.13 37.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.24 114.34 26.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.77 -65.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.087 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.21 -145.28 30.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.52 42.67 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.596 1.84 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 117' ' ' GLY . 51.7 m -138.3 95.79 3.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.919 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.69 -59.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.966 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 115' ' ' SER . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.567 1.167 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -112.72 144.33 42.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.001 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.36 115.67 24.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.93 121.74 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.556 1.16 . . . . 0.0 111.028 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 m -164.43 114.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.746 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 m 54.18 82.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.19 64.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.743 ' CG ' ' CE1' ' A' ' 13' ' ' HIS . 3.0 p80 -121.61 -60.04 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 109.63 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.744 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 29.5 m-85 -148.25 176.4 10.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pt -84.66 -9.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.744 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 17.6 p90 -111.65 161.73 24.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 120.98 6.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.743 ' CE1' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -132.57 163.27 29.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 109.567 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.77 103.01 6.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.34 95.56 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 67' ' ' LYS . 47.0 mt -129.42 138.49 54.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.91 175.91 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.904 HD11 HG21 ' A' ' 103' ' ' ILE . 11.6 mt -130.94 124.68 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.52 149.24 31.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.345 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 tpt85 -97.92 -65.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.351 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 66.34 97.05 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.03 179.92 5.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 110.02 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -106.39 -59.78 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.69 157.47 7.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -83.33 -63.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.598 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 m -124.44 -57.5 1.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -44.71 138.82 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.01 102.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.061 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.51 115.74 1.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -80.49 -53.42 6.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.72 169.86 20.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.0 mt -50.07 -50.89 46.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 0.709 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.773 ' HA2' HD12 ' A' ' 57' ' ' LEU . . . 96.66 58.12 1.07 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.593 HD12 ' HB2' ' A' ' 62' ' ' ALA . 18.3 tt -145.11 135.72 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -112.05 114.89 28.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.1 mt -121.01 130.56 74.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.2 t -116.58 132.47 66.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.222 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.86 -178.43 34.91 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.456 1.097 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.31 50.65 51.54 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.484 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -121.49 132.89 54.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 0.712 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.41 127.23 30.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.585 HG23 ' HD2' ' A' ' 43' ' ' PRO . 15.5 mt -86.36 140.7 34.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.585 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.0 -46.8 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.428 1.752 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.43 -69.24 1.33 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -43.9 164.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 0.736 . . . . 0.0 109.526 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -75.64 -43.7 46.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.55 83.96 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -152.76 149.95 28.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 5.3 pt -98.96 158.04 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.76 -159.27 9.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.691 ' HB3' HD13 ' A' ' 82' ' ' LEU . . . -121.63 141.74 50.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 8.0 p90 -150.82 162.12 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.736 HD12 ' HB2' ' A' ' 72' ' ' MET . 26.3 mt -76.15 108.59 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.07 -55.47 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 14.6 tptt -155.53 132.65 10.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.437 1.085 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.561 HG12 HG21 ' A' ' 53' ' ' ILE . 4.1 mt -84.21 112.95 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.773 HD12 ' HA2' ' A' ' 33' ' ' GLY . 8.2 mt -42.02 163.09 0.13 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 99.42 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.54 36.44 68.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.96 -155.13 1.62 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.484 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 18.8 m -79.71 -50.44 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.768 ' HA ' HD13 ' A' ' 68' ' ' LEU . . . -55.49 -44.4 76.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.28 -30.66 70.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.44 -57.97 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 77.2 p -42.01 -50.37 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.398 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.3 20.07 21.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -126.73 -44.04 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.768 HD13 ' HA ' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -61.43 138.28 58.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.39 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.08 175.05 9.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.33 166.38 22.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 42.05 45.47 4.98 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.736 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.4 mmm -102.45 114.85 29.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -59.73 108.87 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.584 1.177 . . . . 0.0 110.323 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.637 HG13 HD11 ' A' ' 103' ' ' ILE . 89.6 t -83.57 109.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mt -74.56 -58.21 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -136.03 150.18 49.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.373 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.667 ' HE3' HD13 ' A' ' 103' ' ' ILE . 14.2 t-105 -130.02 125.01 34.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.595 ' O ' HD12 ' A' ' 80' ' ' ILE . 17.3 m-20 53.79 30.47 11.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.226 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.76 -38.68 3.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.595 HD12 ' O ' ' A' ' 78' ' ' ASN . 4.8 mp -69.63 125.39 91.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.99 140.08 25.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.74 ' H ' HD12 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -123.89 21.87 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.8 m -87.51 144.57 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.0 t 60.79 29.64 19.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.056 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.53 ' HB2' HG23 ' A' ' 90' ' ' VAL . 3.4 mttm -111.93 -172.31 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 p -115.24 154.14 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -37.46 -62.08 0.55 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -48.63 -66.44 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' VAL . 27.1 mt-10 -38.39 -72.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.607 HG22 ' HB2' ' A' ' 82' ' ' LEU . 55.7 t -39.91 -61.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.27 -64.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.58 -51.66 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.498 HD13 HG22 ' A' ' 80' ' ' ILE . 34.3 mt -53.95 -41.35 49.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.611 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -76.77 -63.47 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.578 1.174 . . . . 0.0 109.361 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -49.37 171.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' SER . 2.3 mt-30 74.24 -58.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -61.3 81.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 96' ' ' GLN . 49.7 m -78.96 166.46 22.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.919 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.75 -168.17 53.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -52.03 170.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 0.773 . . . . 0.0 110.348 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.02 156.84 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.362 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -95.02 150.63 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.904 HG21 HD11 ' A' ' 18' ' ' ILE . 3.5 tp -139.42 150.77 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.419 ' H ' HD12 ' A' ' 103' ' ' ILE . 28.1 m -134.85 102.75 5.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 108.309 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.441 HG12 HG22 ' A' ' 74' ' ' VAL . 30.0 m -121.15 151.04 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -83.39 132.07 35.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.6 -58.67 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 2.6 m-20 -81.23 152.48 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.2 OUTLIER 87.36 137.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.38 146.76 30.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.0 mtt -99.11 97.84 8.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.75 125.9 4.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -133.39 166.99 23.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 117.66 5.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.6 p -136.38 165.41 25.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.57 166.16 10.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.916 0 O-C-N 124.412 1.07 . . . . 0.0 111.072 -179.942 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.899 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -154.99 -46.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 0.723 . . . . 0.0 109.949 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.34 -87.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.92 87.32 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 p -156.25 -66.67 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.759 . . . . 0.0 110.05 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -47.9 136.43 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.1 74.56 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 111.051 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -146.5 129.83 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.566 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 8.1 m-85 -57.93 159.97 5.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -18.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 18.9 p90 -106.18 161.79 21.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.571 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.4 Cg_endo -74.93 122.46 7.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.01 174.15 10.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.39 131.58 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -95.35 88.75 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 17' ' ' LYS . 2.0 mp -92.43 162.36 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.584 ' O ' HD13 ' A' ' 18' ' ' ILE . 13.0 pttp -112.55 177.95 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 17' ' ' LYS . 14.1 mm -139.0 118.48 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.41 154.83 17.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -59.21 147.83 34.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.87 163.79 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.52 79.27 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.25 151.46 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.38 139.99 11.04 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -112.15 -69.92 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.602 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.2 p -131.86 -49.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.404 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 m -125.73 96.8 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.3 m 69.17 -69.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.31 -144.31 16.75 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.459 1.099 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -48.1 156.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' GLY . . . -127.42 -174.58 13.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.48 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' GLY . . . -71.63 73.98 0.76 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.957 HD12 ' HB2' ' A' ' 62' ' ' ALA . 7.1 tt -139.03 131.55 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -112.85 104.79 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' A' ' 94' ' ' ILE . 22.3 mt -117.44 137.0 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.083 HG21 ' CE1' ' A' ' 52' ' ' TYR . 16.1 m -108.8 -170.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.366 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.681 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -168.94 165.15 38.7 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.32 10.71 43.44 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -85.16 132.63 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.12 137.69 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.587 HG23 ' HD2' ' A' ' 43' ' ' PRO . 35.2 mt -89.48 140.78 28.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.93 80.87 2.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.58 1.831 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.82 82.33 1.63 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -161.95 47.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 0.784 . . . . 0.0 109.604 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.96 40.76 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.12 68.58 1.61 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -127.63 139.27 52.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 0.76 . . . . 0.0 110.23 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 85' ' ' LYS . 12.8 pt -87.24 139.15 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.18 -164.64 10.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -121.61 137.48 54.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.347 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 1.083 ' CE1' HG21 ' A' ' 37' ' ' VAL . 2.9 p90 -143.98 141.41 30.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.459 HG13 ' CG2' ' A' ' 74' ' ' VAL . 28.5 mt -64.31 107.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.639 ' HB2' HG13 ' A' ' 37' ' ' VAL . . . -55.71 -56.49 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -157.36 148.49 21.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mt -101.91 114.82 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.68 148.52 0.54 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 106.78 2.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.4 58.08 13.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.04 -154.54 11.66 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -78.68 -39.57 36.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.033 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.957 ' HB2' HD12 ' A' ' 34' ' ' ILE . . . -66.93 -44.48 80.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -73.04 -22.25 60.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -48.54 81.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.541 HG21 HD13 ' A' ' 18' ' ' ILE . 66.9 p -47.63 -49.42 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.67 -47.39 1.08 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.429 1.081 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -58.75 7.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 0.817 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.527 HD11 HD13 ' A' ' 103' ' ' ILE . 4.0 mm? -41.31 131.95 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 mmt -137.82 159.52 41.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.07 156.04 40.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 111' ' ' MET . . . 62.52 32.6 83.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.424 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.7 mmm -105.89 121.1 43.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -70.12 113.74 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.459 ' CG2' HG13 ' A' ' 53' ' ' ILE . 12.8 t -82.35 110.26 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mt -65.23 -59.13 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -138.41 161.3 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.636 ' CE2' HG23 ' A' ' 94' ' ' ILE . 37.4 t-105 -137.78 110.97 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 108.045 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.495 ' O ' HD12 ' A' ' 80' ' ' ILE . 1.7 m-20 68.24 29.49 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.2 -44.26 2.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.623 ' H ' HD12 ' A' ' 80' ' ' ILE . 3.8 mp -59.09 127.4 83.79 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.94 142.91 28.64 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 1.064 HD22 HG13 ' A' ' 90' ' ' VAL . 66.1 mt -105.99 -34.62 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.22 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 84' ' ' SER . 19.7 m -54.28 129.57 35.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 83' ' ' THR . 1.2 t 84.98 31.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.512 ' O ' HD12 ' A' ' 49' ' ' ILE . 3.3 mmtt -130.57 -177.37 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.1 p -110.1 142.54 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.348 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE2' ' HB ' ' A' ' 37' ' ' VAL . 28.3 t80 -38.09 -36.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.92 -66.69 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 90' ' ' VAL . 37.6 mt-10 -41.84 -58.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.064 HG13 HD22 ' A' ' 82' ' ' LEU . 73.1 t -39.89 -61.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -37.75 -63.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.94 -55.12 2.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.612 HD13 HG22 ' A' ' 80' ' ' ILE . 25.8 mt -50.69 -42.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.636 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -74.5 -57.27 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -68.49 63.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.983 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -179.41 77.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.347 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -139.66 163.17 33.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.08 68.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.94 109.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.442 1.089 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 5.5 tt0 74.73 149.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.332 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -154.43 162.33 41.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.246 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.69 134.94 48.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.527 HD13 HD11 ' A' ' 68' ' ' LEU . 9.0 tt -120.21 152.59 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.1 t -136.06 110.88 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 108.343 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.47 179.9 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.256 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.539 ' HD2' HD23 ' A' ' 109' ' ' LEU . 34.8 ttm180 -119.87 115.16 23.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 12' ' ' PRO . 10.4 mt -45.3 -66.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -74.09 88.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.731 HD13 ' H ' ' A' ' 110' ' ' ASN . 0.2 OUTLIER -176.95 147.72 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.731 ' H ' HD13 ' A' ' 109' ' ' LEU . 25.0 t30 -154.81 130.99 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.439 ' CE ' ' HB3' ' A' ' 52' ' ' TYR . 1.2 mtt -120.89 134.15 55.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.5 m -78.71 139.29 38.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.049 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -117.6 156.5 15.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.89 38.64 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.435 1.755 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.4 153.26 50.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 41.6 t -121.56 -59.89 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.969 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 178.85 139.14 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.77 104.12 16.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.966 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.2 115.36 1.99 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.414 1.071 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -91.54 124.23 35.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.034 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.3 p -95.44 96.6 9.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.939 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.85 94.93 0.5 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -158.49 132.17 7.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 0.719 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.797 ' CD1' ' CZ ' ' A' ' 11' ' ' PHE . 26.9 m-85 -59.61 168.02 1.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 pt -77.54 -20.26 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.797 ' CZ ' ' CD1' ' A' ' 9' ' ' TYR . 17.3 p90 -101.29 161.48 23.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.07 5.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.409 ' ND1' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -129.2 165.59 21.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 109.641 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.91 104.23 7.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 94.68 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.492 HD11 ' HD3' ' A' ' 67' ' ' LYS . 1.8 mp -109.48 162.61 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -108.98 171.14 7.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.5 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 4.9 mm -124.12 116.94 49.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.77 142.87 46.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.366 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.69 113.47 19.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -93.81 110.49 22.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.98 171.76 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -91.03 166.61 12.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -90.77 101.1 13.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.11 79.6 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.675 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.6 p 42.41 -162.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.1 t -107.3 106.46 20.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.27 -55.15 3.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 152.98 -173.73 31.85 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 58.57 94.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.28 104.65 2.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.1 mt 70.02 -69.06 0.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 109.28 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.448 ' CA ' ' HB2' ' A' ' 57' ' ' LEU . . . 109.32 79.29 1.1 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.9 tt -154.89 134.84 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -119.29 106.12 12.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.5 mt -110.08 121.41 62.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.508 HG22 ' CE2' ' A' ' 87' ' ' TYR . 2.9 t -100.12 127.17 53.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.99 -165.54 35.53 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' HA2' HD12 ' A' ' 49' ' ' ILE . . . 40.91 47.32 4.1 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 14.3 tptt -121.58 136.04 54.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.43 147.82 30.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.4 mt -111.12 119.86 44.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 70.7 5.28 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.55 44.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.574 1.171 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -160.0 156.51 27.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.635 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 77.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.52 66.66 1.66 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.06 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.95 144.17 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.406 HD12 ' HA2' ' A' ' 39' ' ' GLY . 5.0 pt -101.15 159.62 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.44 -167.27 19.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.652 ' HB3' HD13 ' A' ' 82' ' ' LEU . . . -120.12 137.77 53.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -141.45 161.66 37.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -69.45 103.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.57 -57.35 4.05 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -140.69 145.07 36.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mt -110.43 106.23 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.448 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 2.9 mm? -40.4 150.87 0.26 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.46 36.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 40.67 29.73 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.42 -172.89 49.38 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 25.9 m -78.28 -54.8 5.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.995 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.414 ' O ' ' OG1' ' A' ' 65' ' ' THR . . . -57.16 -23.9 50.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -80.67 -17.97 49.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.246 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 65' ' ' THR . 1.9 pt20 -81.41 -44.98 16.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 64' ' ' GLN . 19.4 p -38.77 -40.0 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 110.364 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.23 -41.12 3.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' HD3' HD11 ' A' ' 16' ' ' ILE . 3.4 mttt -66.49 -64.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 0.782 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' CD1' HD13 ' A' ' 103' ' ' ILE . 3.0 mm? -41.02 126.53 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.0 mmm -138.08 141.52 40.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.35 143.42 18.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.73 -29.17 8.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.145 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.4 mmm -52.88 139.59 26.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 0.789 . . . . 0.0 111.053 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.628 ' OE1' HD13 ' A' ' 109' ' ' LEU . 41.8 tt0 -86.42 127.09 34.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -100.27 109.66 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 106' ' ' ARG . 2.2 mt -70.03 -53.94 15.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -135.72 167.06 21.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.724 ' CE2' HG23 ' A' ' 94' ' ' ILE . 11.2 t-105 -145.6 124.0 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.719 ' O ' HD12 ' A' ' 80' ' ' ILE . 3.4 m-20 54.8 33.26 19.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.29 -43.02 3.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 78' ' ' ASN . 5.1 mp -67.78 123.33 86.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 18.3 Cg_endo -74.98 142.5 27.99 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.73 ' H ' HD12 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -124.08 19.73 9.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.1 m -87.73 142.83 27.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.27 30.15 15.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.555 ' HB2' HG23 ' A' ' 90' ' ' VAL . 2.7 mmtt -112.94 -160.68 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 p -123.71 150.81 43.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.508 ' CE2' HG22 ' A' ' 37' ' ' VAL . 5.9 t80 -39.46 -53.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -64.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' VAL . 48.0 mt-10 -41.92 -67.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 110.342 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.615 HG22 ' HB2' ' A' ' 82' ' ' LEU . 37.8 t -39.91 -58.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.379 1.049 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -46.68 -59.11 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -43.43 -42.93 4.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.706 HD13 HG22 ' A' ' 80' ' ' ILE . 30.0 mt -64.12 -40.83 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.724 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -77.77 -68.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.524 ' O ' ' C ' ' A' ' 96' ' ' GLN . 10.4 t 38.84 62.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.524 ' C ' ' O ' ' A' ' 95' ' ' SER . 1.5 pt20 28.48 63.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -40.37 115.56 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.265 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.2 143.08 19.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.54 -162.13 25.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 3.3 tt0 -54.82 148.97 12.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -148.62 119.02 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.33 135.87 39.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.52 ' HB ' ' CZ3' ' A' ' 77' ' ' TRP . 2.3 tt -121.73 137.7 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 81.4 m -116.49 106.65 13.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 108.274 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.496 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -122.34 163.23 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.504 ' HB2' HD11 ' A' ' 75' ' ' LEU . 67.6 ttt180 -98.04 149.16 22.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.4 mt -78.37 -69.91 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -66.39 -176.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.628 HD13 ' OE1' ' A' ' 73' ' ' GLN . 4.7 tt 71.35 -79.54 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 0.0 109.211 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' MET . 37.6 t-20 43.75 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.5 mtt -37.32 -40.96 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.6 t 50.93 99.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.034 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -113.44 -167.89 16.71 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 177.28 8.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 41.3 t -155.49 -58.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.18 168.44 19.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.7 -58.62 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 110.013 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.4 168.57 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.98 -145.72 15.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.125 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -143.0 162.78 34.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 0.789 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.55 163.02 34.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.54 147.99 7.77 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.147 . . . . 0.0 110.999 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -165.2 -81.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.738 . . . . 0.0 109.523 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.74 ' CD1' ' CZ ' ' A' ' 11' ' ' PHE . 2.2 m-85 -111.68 145.87 38.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 pt -56.83 -27.17 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.74 ' CZ ' ' CD1' ' A' ' 9' ' ' TYR . 4.5 p90 -111.31 160.94 27.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.613 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.4 Cg_endo -75.01 119.63 5.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.47 169.47 17.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.628 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.62 135.69 30.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -107.92 91.44 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.59 HD11 ' HD3' ' A' ' 67' ' ' LYS . 2.4 mp -103.47 156.1 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -104.4 162.86 12.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' GLU . 7.7 mt -129.28 123.16 57.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.443 HG22 ' HG2' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -107.65 141.4 39.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -62.94 -62.75 1.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t70 53.18 88.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 p -127.12 156.16 42.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.7 102.71 9.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 55.84 98.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 109.329 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -172.51 123.81 0.47 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.617 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 27' ' ' VAL . 4.5 t -55.59 179.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.435 ' N ' ' OG1' ' A' ' 26' ' ' THR . 0.2 OUTLIER -121.42 103.92 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 t -164.95 81.72 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . . . 83.17 -145.69 23.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 70.4 -63.6 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 0.723 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . 74.04 -137.9 23.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.759 HD11 ' O ' ' A' ' 99' ' ' GLY . 2.3 mm? -84.84 -56.14 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.225 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.84 41.51 0.37 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 tt -135.96 131.13 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.408 0.71 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.566 ' HG3' HD13 ' A' ' 57' ' ' LEU . 4.6 mtt180 -101.44 105.24 16.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.513 ' HB ' HG21 ' A' ' 94' ' ' ILE . 67.5 mt -108.4 120.25 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.986 HG21 ' CE1' ' A' ' 52' ' ' TYR . 4.5 m -73.93 -156.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.673 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . 170.7 155.88 10.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.89 4.86 56.22 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.53 131.97 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -41.23 151.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.573 1.171 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.501 HD11 ' HA3' ' A' ' 50' ' ' GLY . 42.6 mt -113.09 140.28 24.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 137.76 22.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.46 -53.49 3.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.41 ' ND1' HG22 ' A' ' 42' ' ' ILE . 45.2 m80 -40.15 144.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.61 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -75.9 92.68 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.48 76.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -143.85 148.78 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' ' 83' ' ' THR . 15.4 pt -106.5 144.66 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.065 . . . . 0.0 109.24 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.501 ' HA3' HD11 ' A' ' 42' ' ' ILE . . . -149.96 -157.49 7.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -129.85 137.32 50.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.986 ' CE1' HG21 ' A' ' 37' ' ' VAL . 14.2 p90 -132.28 142.81 49.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.839 HD12 ' HB2' ' A' ' 72' ' ' MET . 65.3 mt -55.03 109.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.695 ' HB2' HG13 ' A' ' 37' ' ' VAL . . . -71.17 -55.92 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 15.4 tptt -164.77 129.43 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.431 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 3.6 mt -76.09 81.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.566 HD13 ' HG3' ' A' ' 35' ' ' ARG . 1.4 mp -40.18 152.81 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.06 -57.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . 113.86 3.94 23.1 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.72 -54.44 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.965 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.33 -29.48 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -66.14 -18.56 65.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.218 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 65' ' ' THR . 1.1 mt-30 -80.1 -54.23 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 65' ' ' THR . 80.1 p -37.07 -48.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.52 -39.92 3.09 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.59 ' HD3' HD11 ' A' ' 16' ' ' ILE . 3.8 tttp -59.75 -19.04 47.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.224 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.628 HD11 HG21 ' A' ' 103' ' ' ILE . 1.2 mm? -90.86 121.96 33.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.375 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.8 mtp -138.52 136.27 35.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -46.68 157.42 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.09 -5.13 67.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.839 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.9 mmm -81.86 127.44 33.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 0.716 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.689 ' HB3' HD13 ' A' ' 109' ' ' LEU . 23.2 tt0 -79.2 109.3 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 51' ' ' ALA . 3.5 t -71.45 120.79 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.7 mt -77.22 -54.08 6.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -143.0 157.95 44.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.383 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.729 ' CZ3' HD12 ' A' ' 103' ' ' ILE . 69.2 t-105 -133.95 134.02 42.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.06 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.926 ' OD1' HD12 ' A' ' 80' ' ' ILE . 17.9 p30 43.62 28.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 89.24 -34.8 3.85 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.926 HD12 ' OD1' ' A' ' 78' ' ' ASN . 8.5 mt -68.73 127.15 93.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.06 37.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.576 HD22 HG13 ' A' ' 90' ' ' VAL . 13.6 mt -110.96 -25.14 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 49' ' ' ILE . 46.1 m -62.69 144.83 55.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.367 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.2 t 70.37 29.72 3.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.413 ' O ' HD12 ' A' ' 49' ' ' ILE . 4.4 mmmt -131.12 -174.31 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.1 p -115.48 144.14 44.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.472 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.59 ' CE2' ' HB ' ' A' ' 37' ' ' VAL . 42.5 t80 -37.49 -54.77 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.45 -56.95 12.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.24 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' N ' ' CD ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -52.67 -58.97 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.225 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.7 HG11 ' O ' ' A' ' 37' ' ' VAL . 92.4 t -47.73 -52.03 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.185 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.48 -43.84 8.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -34.4 76.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.072 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.687 HD13 HG22 ' A' ' 80' ' ' ILE . 66.6 mt -68.24 -33.96 63.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.81 ' N ' HD13 ' A' ' 94' ' ' ILE . 0.4 OUTLIER -85.01 -56.29 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.35 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.22 57.03 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.059 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -178.28 81.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -136.14 -179.98 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -127.27 59.12 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.953 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.759 ' O ' HD11 ' A' ' 32' ' ' LEU . . . 98.01 -105.93 3.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.13 . . . . 0.0 111.048 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.443 ' HG2' HG22 ' A' ' 19' ' ' THR . 0.0 OUTLIER -60.47 -176.05 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 0.742 . . . . 0.0 110.29 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.91 151.27 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -111.89 138.85 47.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.729 HD12 ' CZ3' ' A' ' 77' ' ' TRP . 2.6 tt -124.76 150.77 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 77.2 m -134.61 88.88 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 108.286 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 m -103.43 156.37 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.655 ' HD3' HD12 ' A' ' 109' ' ' LEU . 45.6 ttt180 -99.53 133.25 44.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.613 HD12 ' HB2' ' A' ' 12' ' ' PRO . 19.2 mt -57.79 -69.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -68.99 103.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.689 HD13 ' HB3' ' A' ' 73' ' ' GLN . 2.0 mt 168.16 158.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -174.97 107.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.2 mtt -82.76 114.25 20.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.1 t -60.37 142.05 55.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -144.96 158.08 27.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 178.51 7.17 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.58 144.05 25.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.5 t -79.35 103.93 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.064 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 74.47 -66.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.963 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.7 -59.43 2.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.947 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.75 111.04 2.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.75 137.98 24.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.42 99.47 9.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.59 139.21 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.621 1.201 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.422 ' CE1' ' O ' ' A' ' 9' ' ' TYR . 2.9 t60 -165.52 131.65 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 109.64 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.615 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 9.9 m-85 -79.02 159.38 27.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.642 HD12 ' N ' ' A' ' 11' ' ' PHE . 2.3 pp -57.46 -44.27 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.642 ' N ' HD12 ' A' ' 10' ' ' ILE . 27.4 p90 -77.29 161.4 72.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.8 5.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.575 1.829 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.22 163.21 29.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.644 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.24 115.93 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 10.3 mtp-105 -104.21 85.83 2.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 16' ' ' ILE . 4.9 mp -124.19 123.88 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.508 ' HD3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -82.08 134.65 35.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.24 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.541 HG21 ' OG ' ' A' ' 61' ' ' SER . 4.4 mt -73.59 118.02 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.508 HG23 ' HD3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -100.68 126.12 47.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.642 ' HG3' HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -92.41 131.56 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.327 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.06 159.6 30.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.2 p -122.21 169.62 10.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.947 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.17 101.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 52.98 100.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -175.86 69.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.589 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 m -112.09 129.85 56.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 28' ' ' SER . 30.4 m -125.38 -51.81 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.468 ' N ' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -172.2 163.93 5.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.84 -119.33 5.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.601 1.188 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.88 -46.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 0.79 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.68 -148.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.437 1.086 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.642 HD23 ' HG3' ' A' ' 20' ' ' ARG . 6.5 mt -88.55 137.33 32.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.9 70.25 0.59 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.04 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 62' ' ' ALA . 8.9 tt -146.39 131.25 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.583 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 6.3 mmm180 -110.58 131.04 55.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.358 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -139.18 134.71 41.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.5 t -118.89 120.35 63.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.213 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.36 -179.61 46.69 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.67 49.54 77.43 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -128.27 130.09 47.36 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -58.14 139.33 55.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 9.4 mt -92.75 133.87 28.57 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.92 69.79 5.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 111.071 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.51 -73.41 0.15 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -39.88 150.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 0.739 . . . . 0.0 109.593 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 m -71.22 98.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.18 75.2 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -139.88 145.55 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.795 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 85' ' ' LYS . 4.4 pt -100.5 151.4 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.12 -156.63 7.47 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.29 153.3 41.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -155.43 160.84 40.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.737 HD13 ' CD1' ' A' ' 68' ' ' LEU . 5.7 mt -77.14 112.28 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.583 ' HB3' ' HB3' ' A' ' 35' ' ' ARG . . . -56.14 -53.65 54.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 6.0 tptm -170.98 125.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.628 HD11 ' CD1' ' A' ' 68' ' ' LEU . 3.4 mt -60.27 109.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -39.78 153.45 0.19 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.97 102.16 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.7 34.62 89.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.79 -147.42 18.91 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.541 ' OG ' HG21 ' A' ' 18' ' ' ILE . 40.9 p -81.02 -44.63 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.98 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.506 ' HB2' HD12 ' A' ' 34' ' ' ILE . . . -58.27 -43.24 87.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.71 -29.29 63.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -61.37 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.2 p -51.37 -33.07 28.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.32 27.13 39.08 Favored Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.28 -4.74 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 0.807 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.737 ' CD1' HD13 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -123.94 162.87 22.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.459 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.8 ptt? -139.58 -179.63 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.08 163.28 26.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 111' ' ' MET . . . 57.78 21.28 43.3 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.569 1.168 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.645 ' HB2' HD12 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -84.82 95.26 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 111.031 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.513 ' OE1' HD22 ' A' ' 109' ' ' LEU . 13.5 tt0 -42.38 110.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.9 t -81.27 110.2 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 104' ' ' CYS . 5.9 mt -71.24 -56.62 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -138.75 152.12 47.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.624 ' CE2' HG23 ' A' ' 94' ' ' ILE . 34.4 t-105 -132.53 109.5 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 108.034 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 61.67 30.25 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.2 -49.46 1.71 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.602 1.189 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.617 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.2 mp -60.38 125.99 83.32 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.518 ' O ' HD23 ' A' ' 82' ' ' LEU . 18.3 Cg_endo -74.99 154.31 42.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 81' ' ' PRO . 41.3 mt -122.26 35.35 4.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.4 m -107.55 140.97 39.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.411 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.0 t 61.98 39.69 13.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.049 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.735 ' O ' HD12 ' A' ' 49' ' ' ILE . 5.4 mmtm -125.67 -169.98 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.542 ' O ' HG23 ' A' ' 90' ' ' VAL . 22.3 p -128.87 165.46 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.378 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -43.9 -66.73 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLU . 1.3 mt-10 -44.8 -69.18 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 90' ' ' VAL . 11.2 mt-10 -38.14 -72.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.229 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 86' ' ' THR . 61.1 t -40.04 -60.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 95' ' ' SER . 1.1 tt0 -40.8 -63.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.84 -53.6 2.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.486 HD13 ' CG2' ' A' ' 80' ' ' ILE . 35.6 mt -51.45 -43.78 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.624 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -74.63 -60.26 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -38.1 -43.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.26 110.58 15.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.99 179.96 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 m -173.08 118.71 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . 68.68 111.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.419 1.074 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 99' ' ' GLY . 17.9 pm0 44.39 -171.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.01 143.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.27 133.08 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.261 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.507 HG12 HG13 ' A' ' 105' ' ' VAL . 9.7 tt -133.0 123.32 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 75' ' ' LEU . 6.6 m -109.36 107.61 17.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.507 HG13 HG12 ' A' ' 103' ' ' ILE . 21.1 m -114.54 172.95 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.474 ' CZ ' HD12 ' A' ' 109' ' ' LEU . 2.4 ttt180 -115.4 117.66 31.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.5 mt -53.2 -58.13 8.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -53.63 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.513 HD22 ' OE1' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -43.93 132.19 5.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -151.48 89.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLY . 5.1 mtt -53.89 132.0 41.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.76 87.8 7.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.33 140.87 15.26 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -179.43 4.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.98 140.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 35.8 p -138.5 110.39 7.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 1.082 . . . . 0.0 110.027 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.12 . . . . 0.0 111.065 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -171.34 144.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 0.0 110.037 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.21 150.29 22.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . 141.96 -96.17 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.558 1.161 . . . . 0.0 110.941 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 2.4 t 78.75 -57.84 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.422 0.719 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.23 86.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.048 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.83 92.01 0.51 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -151.01 121.4 7.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.56 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.756 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -60.97 173.03 0.84 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.51 1.131 . . . . 0.0 110.951 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.58 -16.86 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.756 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 10.8 p90 -109.39 162.6 19.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 120.47 6.09 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.21 173.5 11.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.625 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.25 135.87 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.41 ' NH1' ' OE2' ' A' ' 102' ' ' GLU . 5.9 mtp-105 -109.04 87.77 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mm -98.74 131.47 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.95 159.78 16.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.384 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.577 HG23 ' HB3' ' A' ' 61' ' ' SER . 5.3 mt -128.52 120.97 54.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.586 1.179 . . . . 0.0 109.373 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.82 144.72 30.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.435 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.781 ' HG3' HD13 ' A' ' 32' ' ' LEU . 2.4 ttt-85 -88.11 120.72 29.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -179.1 -67.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.83 106.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 tttt 43.79 86.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -81.1 114.84 20.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -158.65 -57.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 109.632 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 t -161.1 -48.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.4 m -51.78 144.72 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.37 146.58 29.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.926 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.11 -66.4 0.51 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -84.56 136.33 33.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 0.772 . . . . 0.0 109.345 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.49 -96.13 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.781 HD13 ' HG3' ' A' ' 20' ' ' ARG . 6.9 mp -42.02 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.17 81.61 0.1 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.492 1.12 . . . . 0.0 110.934 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.1 tt -154.18 129.13 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 115.35 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 52' ' ' TYR . 88.9 mt -117.75 138.67 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.427 HG22 ' CE2' ' A' ' 87' ' ' TYR . 35.1 t -118.16 118.71 59.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.97 -163.8 39.28 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.442 1.089 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.13 51.21 2.77 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -124.48 129.59 50.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.71 134.47 51.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.2 mt -98.04 128.69 32.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.87 11.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.792 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.51 -34.8 4.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.55 142.47 30.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.559 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.2 -38.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.98 80.18 0.04 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -129.52 140.32 51.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 0.806 . . . . 0.0 110.251 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 85' ' ' LYS . 9.2 pt -91.36 149.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.16 -155.42 7.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.944 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.27 146.89 47.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.557 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 28.5 p90 -146.92 162.66 38.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.826 HD13 HD23 ' A' ' 68' ' ' LEU . 8.3 mt -78.04 102.97 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.68 -57.84 9.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.255 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -157.13 137.68 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.39 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.008 HD11 ' CD2' ' A' ' 68' ' ' LEU . 79.2 mt -92.16 130.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.91 150.11 30.22 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 129.95 12.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.1 40.38 95.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.63 172.6 20.33 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.89 ' O ' HG23 ' A' ' 65' ' ' THR . 0.4 OUTLIER -69.84 -35.31 74.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 0.8 . . . . 0.0 109.964 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -62.24 -38.03 87.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.98 -30.72 44.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -63.97 -44.39 92.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.355 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 61' ' ' SER . 64.6 p -39.75 -36.95 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.52 25.54 63.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.75 -43.87 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.008 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -67.61 164.72 18.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.996 ' N ' HD22 ' A' ' 68' ' ' LEU . 11.9 mtt -152.56 118.1 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -40.82 149.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.54 11.96 84.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.45 108.14 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.513 ' OE1' HD22 ' A' ' 109' ' ' LEU . 44.1 tt0 -50.2 121.15 5.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.587 ' CG2' HD11 ' A' ' 103' ' ' ILE . 99.5 t -85.12 109.63 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 104' ' ' CYS . 2.7 mt -70.69 -55.62 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -137.08 164.77 27.63 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.48 1.112 . . . . 0.0 110.348 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.569 ' CZ2' ' HB1' ' A' ' 101' ' ' ALA . 6.9 t-105 -145.27 109.11 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 58.3 32.88 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.37 -56.05 1.06 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.663 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.0 mp -57.54 124.12 65.95 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.434 0.726 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 149.62 36.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.744 HD22 HG13 ' A' ' 90' ' ' VAL . 40.9 mt -111.84 31.7 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.7 m -110.59 140.14 45.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p 69.15 30.77 4.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.477 ' O ' HD12 ' A' ' 49' ' ' ILE . 3.6 mmtm -122.94 -176.95 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 90' ' ' VAL . 71.8 p -121.77 156.91 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.427 ' CE2' HG22 ' A' ' 37' ' ' VAL . 11.1 t80 -37.66 -61.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLU . 5.5 mt-10 -49.56 -69.32 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' GLU . 48.7 mt-10 -38.84 -64.01 0.48 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.433 1.083 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.744 HG13 HD22 ' A' ' 82' ' ' LEU . 62.7 t -46.57 -58.25 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 95' ' ' SER . 4.3 tt0 -41.89 -41.0 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -41.26 93.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.979 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 80' ' ' ILE . 62.5 mt -63.44 -35.96 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.581 HD11 HG12 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -81.54 -59.96 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 91' ' ' GLN . 4.6 t -39.64 153.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 77.41 -170.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 71.73 63.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.229 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.8 p -81.65 74.23 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.052 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 100' ' ' GLU . . . 176.5 41.7 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.519 1.137 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 0.1 OUTLIER 89.34 168.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.254 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.569 ' HB1' ' CZ2' ' A' ' 77' ' ' TRP . . . -160.72 161.24 32.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' OE2' ' NH1' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -121.75 139.63 53.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.587 HD11 ' CG2' ' A' ' 74' ' ' VAL . 11.2 tt -128.52 130.9 69.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' LEU . 43.6 m -113.98 103.98 11.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 108.28 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.5 m -109.01 179.79 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.448 ' NH2' ' CE2' ' A' ' 11' ' ' PHE . 22.6 ttm180 -120.53 109.2 14.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 107' ' ' LEU . 2.1 mt -47.67 -60.68 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.58 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.513 HD22 ' OE1' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -57.57 172.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 110' ' ' ASN . 1.1 p30 -179.54 38.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.453 ' O ' ' CB ' ' A' ' 112' ' ' SER . 6.1 mmt 37.56 84.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 111' ' ' MET . 0.4 OUTLIER 81.5 -69.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 169.35 -174.83 43.76 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 104.63 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.1 151.9 44.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.7 t -128.25 162.93 25.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -171.9 122.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.942 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -125.32 134.12 52.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.69 -77.29 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -176.46 104.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.048 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.51 148.99 38.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.63 -178.02 37.69 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.547 1.154 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -128.77 -170.24 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.521 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.703 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 17.4 m-85 -59.42 169.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.059 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.9 pt -74.66 -27.75 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.703 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 8.2 p90 -91.69 161.63 33.5 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.457 1.098 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.682 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.2 Cg_endo -75.01 121.55 6.64 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.4 171.59 14.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.473 ' O ' HD12 ' A' ' 16' ' ' ILE . . . -162.61 110.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -85.86 123.63 31.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 14' ' ' ALA . 4.1 mp -120.18 157.48 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.38 135.27 51.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.694 HD11 HG21 ' A' ' 103' ' ' ILE . 5.8 mm -88.19 114.82 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.32 128.68 50.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -83.46 148.6 27.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.234 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -89.94 165.44 14.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.33 96.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.23 142.92 25.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.227 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -152.18 100.11 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.64 85.75 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.644 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.5 m 63.78 153.21 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.5 m -51.6 -31.7 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.16 -91.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.924 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.24 -77.6 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -95.36 131.67 41.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 0.803 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.63 -169.42 31.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.423 1.077 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mt 57.24 177.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.251 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' CA ' ' HG ' ' A' ' 57' ' ' LEU . . . -140.41 90.59 0.19 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.694 HD12 ' CB ' ' A' ' 62' ' ' ALA . 5.5 tt -154.2 132.41 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.471 0.748 . . . . 0.0 109.352 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -108.47 106.9 17.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.498 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 45.2 mt -113.32 130.01 68.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 55.7 t -105.91 114.15 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.535 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -88.27 -172.37 46.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.38 25.21 8.13 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -99.6 134.66 42.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.738 ' HG2' ' HE2' ' A' ' 45' ' ' HIS . 9.3 tt0 -57.23 125.65 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.711 HG23 ' HD2' ' A' ' 43' ' ' PRO . 43.3 mt -73.05 141.9 81.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.711 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.06 59.12 5.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.23 93.83 0.73 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.738 ' HE2' ' HG2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -160.14 -179.51 7.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 109.633 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.23 54.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.32 72.09 1.05 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.155 . . . . 0.0 110.954 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.836 ' O ' HG23 ' A' ' 49' ' ' ILE . 2.8 tp10 -139.37 -152.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 110.235 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.836 HG23 ' O ' ' A' ' 48' ' ' GLU . 1.6 pt -171.71 135.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.39 -171.44 12.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.498 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -118.4 154.12 32.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 0.721 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE1' ' HB ' ' A' ' 37' ' ' VAL . 19.3 p90 -146.15 155.03 42.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.887 HD13 HD23 ' A' ' 68' ' ' LEU . 4.7 mt -72.34 95.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.078 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.46 -59.53 4.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 9.5 tptm -156.36 127.69 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.039 HD11 ' CD2' ' A' ' 68' ' ' LEU . 13.6 mt -80.12 135.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' HG ' ' CA ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -53.73 157.16 4.11 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 112.97 3.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.417 1.746 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.98 50.67 63.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.81 -163.21 26.93 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 65' ' ' THR . 50.5 m -74.84 -48.85 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.963 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.694 ' CB ' HD12 ' A' ' 34' ' ' ILE . . . -59.08 -30.45 68.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -79.76 -29.58 40.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' THR . 1.9 mt-30 -64.63 -45.54 86.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 61' ' ' SER . 68.8 p -38.01 -53.6 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.04 16.44 80.68 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.22 -41.35 2.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 0.789 . . . . 0.0 109.293 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 1.039 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -63.93 167.32 6.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.997 ' N ' HD22 ' A' ' 68' ' ' LEU . 44.6 mtt -157.18 126.01 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 111.065 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -46.76 149.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.25 2.25 90.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.04 113.32 20.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.494 ' OE1' HD22 ' A' ' 109' ' ' LEU . 15.9 tt0 -59.77 106.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.9 t -72.48 109.58 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.475 HD12 ' SG ' ' A' ' 104' ' ' CYS . 16.6 mt -65.97 -59.27 3.99 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 1.4 mp0 -138.41 164.83 28.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.745 ' CG ' HG22 ' A' ' 94' ' ' ILE . 5.1 t-105 -143.56 114.57 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.021 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 64.08 29.5 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.89 -49.85 1.76 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 80' ' ' ILE . 3.6 mp -62.03 122.57 73.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.747 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 18.5 Cg_endo -75.0 143.78 29.46 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.452 1.764 . . . . 0.0 111.043 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.565 HD22 HG13 ' A' ' 90' ' ' VAL . 18.3 mt -105.29 26.72 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.9 m -99.18 132.75 44.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.441 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t 69.85 30.52 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.013 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -113.04 -174.45 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' TYR . 48.3 p -119.5 152.13 37.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' THR . 11.9 t80 -37.24 -57.29 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -52.89 -67.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 90' ' ' VAL . 67.0 mt-10 -38.84 -70.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.565 HG13 HD22 ' A' ' 82' ' ' LEU . 46.4 t -38.81 -59.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.588 ' HA ' HD11 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -52.6 -46.26 66.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -37.49 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.81 -60.19 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.745 HG22 ' CG ' ' A' ' 77' ' ' TRP . 1.3 pt -57.01 -43.46 81.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 91' ' ' GLN . 71.8 m -69.04 -176.93 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.954 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 41.13 91.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.235 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -151.58 140.07 20.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -46.92 -60.82 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.028 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.72 -133.14 1.48 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.432 1.083 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -38.98 145.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.82 154.99 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.32 132.84 43.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.694 HG21 HD11 ' A' ' 18' ' ' ILE . 9.7 tt -124.38 131.0 73.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.475 ' SG ' HD12 ' A' ' 75' ' ' LEU . 15.6 t -106.02 112.99 26.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.265 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 m -111.29 158.91 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 107' ' ' LEU . 42.7 ttt180 -109.81 111.12 22.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.682 HD12 ' HB2' ' A' ' 12' ' ' PRO . 10.6 mt -39.97 -59.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 1.6 t0 -82.37 156.36 24.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.494 HD22 ' OE1' ' A' ' 73' ' ' GLN . 0.3 OUTLIER 87.33 119.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -139.05 136.96 35.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.3 mtt -85.01 -52.63 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.22 151.11 51.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.032 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -175.6 157.3 23.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -46.84 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.56 1.821 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.86 131.73 47.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.041 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.16 148.83 42.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.012 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.75 143.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 0.726 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m 59.3 155.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.02 -126.36 0.73 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 t -124.45 161.82 25.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 0.754 . . . . 0.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -95.05 167.32 11.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.7 167.07 23.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.051 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 70.83 141.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 109.597 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.751 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 m-85 -76.65 153.73 34.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pp -67.69 -15.6 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.751 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 31.4 p90 -108.59 162.27 20.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 120.78 6.2 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.484 1.781 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -137.44 172.87 12.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.604 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.25 132.96 18.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -105.46 93.94 4.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.344 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mp -109.33 124.43 66.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -89.45 124.72 34.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.722 HD11 HG21 ' A' ' 103' ' ' ILE . 3.5 mt -83.47 121.64 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.63 126.98 55.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.89 95.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -167.88 160.74 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.365 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.82 156.41 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.11 -53.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -65.19 107.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 51.5 95.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.591 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.6 m -50.37 117.42 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -40.95 -41.92 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t 70.19 108.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.984 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 42.1 93.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.448 ' HB3' HG21 ' A' ' 27' ' ' VAL . 0.6 OUTLIER 165.48 120.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.38 -146.71 1.54 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mp -53.83 -23.87 13.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 109.376 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 46.09 64.92 2.26 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.7 tt -129.9 135.23 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.29 108.93 17.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.481 HD13 HG21 ' A' ' 74' ' ' VAL . 83.2 mt -112.84 118.45 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 41.2 t -91.53 116.92 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.22 -178.14 40.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.404 1.065 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.91 48.94 36.9 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.16 138.03 53.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.51 138.25 57.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.404 HD13 ' NE2' ' A' ' 73' ' ' GLN . 13.1 mt -108.76 124.16 35.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.451 ' O ' HD11 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -74.95 78.02 2.98 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.42 1.747 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.25 70.73 0.17 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.86 42.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.592 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.94 61.93 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.11 68.66 0.4 Allowed Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -116.31 144.35 44.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 0.818 . . . . 0.0 110.304 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 pt -99.17 140.33 18.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.94 -145.1 4.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HB1' HG22 ' A' ' 36' ' ' ILE . . . -136.61 162.93 31.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.454 ' CB ' ' HA ' ' A' ' 73' ' ' GLN . 21.8 p90 -166.9 144.06 4.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.99 HG21 HD11 ' A' ' 56' ' ' ILE . 96.1 mt -55.95 127.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.55 -51.22 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 141.56 51.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.99 HD11 HG21 ' A' ' 53' ' ' ILE . 3.2 mt -133.6 80.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.34 154.93 2.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.05 145.28 31.07 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.92 -36.0 3.64 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.74 144.2 0.19 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.521 ' CB ' ' CG2' ' A' ' 18' ' ' ILE . 58.2 m -57.82 -24.91 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 0.0 110.081 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.26 -55.78 8.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -65.54 -30.06 70.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -58.77 4.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 61' ' ' SER . 69.3 p -47.88 -40.36 21.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.61 55.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -117.6 -41.81 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 0.809 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.661 HD12 HD11 ' A' ' 53' ' ' ILE . 3.1 mm? -68.22 157.21 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 68' ' ' LEU . 20.6 mtm -161.16 143.44 12.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.9 150.33 3.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.99 -2.72 87.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.4 ' O ' ' HA ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -83.65 121.06 26.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.918 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.454 ' HA ' ' CB ' ' A' ' 52' ' ' TYR . 23.3 tt0 -76.34 126.26 30.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.481 HG21 HD13 ' A' ' 36' ' ' ILE . 32.1 t -86.85 109.38 19.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 104' ' ' CYS . 5.9 mt -75.12 -59.39 2.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -130.69 151.99 50.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.485 ' CE2' HG23 ' A' ' 94' ' ' ILE . 15.9 t-105 -138.52 107.96 6.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 62.03 30.65 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.24 -52.79 1.21 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.466 1.104 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.643 ' H ' HD12 ' A' ' 80' ' ' ILE . 4.3 mp -57.72 122.87 59.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.37 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 145.4 31.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.609 HD21 HG21 ' A' ' 93' ' ' ILE . 33.0 mt -109.26 28.32 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -104.06 139.31 39.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.365 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t 67.45 37.16 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.985 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -126.81 -170.64 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 90' ' ' VAL . 16.2 p -128.54 161.21 30.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.17 . . . . 0.0 110.356 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -42.56 -52.26 4.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.07 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.58 -70.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.223 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 90' ' ' VAL . 5.1 mt-10 -39.92 -64.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.248 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 86' ' ' THR . 45.4 t -40.59 -61.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 95' ' ' SER . 1.4 tt0 -39.16 -59.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.11 -50.65 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.609 HG21 HD21 ' A' ' 82' ' ' LEU . 38.7 mt -54.35 -39.9 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.485 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -77.97 -63.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.24 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -49.31 154.82 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 69.88 102.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -165.17 162.98 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -72.49 -58.54 3.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -168.62 -85.63 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.4 OUTLIER -65.78 169.05 6.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.428 0.722 . . . . 0.0 110.292 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.02 155.33 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.14 138.87 37.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.722 HG21 HD11 ' A' ' 18' ' ' ILE . 14.1 tt -129.99 122.58 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 75' ' ' LEU . 3.3 m -104.5 110.35 22.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 108.363 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 73' ' ' GLN . 28.3 m -105.34 -169.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.532 ' CZ ' ' CB ' ' A' ' 109' ' ' LEU . 1.2 ttp180 -140.94 114.89 9.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.494 ' O ' ' O ' ' A' ' 108' ' ' ASP . 5.4 mt -58.61 -69.76 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 107' ' ' LEU . 34.3 t70 -42.38 169.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.532 ' CB ' ' CZ ' ' A' ' 106' ' ' ARG . 0.2 OUTLIER 77.54 -167.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 171.94 93.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 1.9 mmm -79.9 130.36 35.23 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 t 49.9 98.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.034 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -115.49 115.88 3.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.4 147.73 27.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.7 t -87.54 157.8 19.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.436 1.085 . . . . 0.0 111.035 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.79 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 33.4 m-85 . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.503 0.192 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.3 pt -78.47 -23.25 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.79 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 6.6 p90 -105.74 162.17 20.55 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 118.59 5.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -131.41 163.88 26.94 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.23 103.8 8.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.95 99.65 12.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 16' ' ' ILE . 4.1 mp -119.83 143.59 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -98.05 156.9 16.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 100' ' ' GLU . 3.5 mt -121.8 117.61 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.19 55.84 4.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 tt -129.01 127.63 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 53' ' ' ILE . 9.6 mmt180 -124.41 129.75 51.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.404 HG12 HG21 ' A' ' 74' ' ' VAL . 7.3 mt -137.18 133.08 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.597 HG22 ' CE2' ' A' ' 87' ' ' TYR . 10.5 t -107.71 129.9 60.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.505 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -99.47 179.87 30.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.26 43.85 98.85 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.44 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -127.01 127.63 45.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.24 141.75 45.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.433 HG23 ' HD2' ' A' ' 43' ' ' PRO . 20.5 mt -94.95 137.94 22.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.02 100.87 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.764 . . . . 0.0 111.073 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.92 -56.05 0.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.89 151.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.599 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.76 87.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.02 63.2 1.33 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -125.98 150.62 47.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.735 . . . . 0.0 110.311 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.6 pt -101.22 161.89 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.96 -162.81 14.3 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.83 138.27 53.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.44 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 38.3 p90 -135.42 151.62 50.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 72' ' ' MET . 29.8 mt -69.68 100.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.69 -58.43 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -161.17 175.18 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.04 138.14 55.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.44 164.54 18.89 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 98.7 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.92 58.65 10.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.6 -159.54 29.83 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.1 m -74.37 -39.41 62.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 0.793 . . . . 0.0 110.028 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.26 -48.65 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.51 -30.08 70.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.068 . . . . 0.0 110.254 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -44.93 36.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.25 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.3 p -57.71 -49.51 76.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.12 -34.86 5.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -65.72 -63.03 1.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 0.767 . . . . 0.0 109.351 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.411 HD11 HD13 ' A' ' 103' ' ' ILE . 2.6 mm? -44.5 131.22 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 3.5 ttt -137.34 152.27 49.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 69' ' ' MET . 1.6 mt-10 -67.26 145.41 55.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.03 23.59 61.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.515 ' HB2' HD12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -101.67 134.64 44.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -79.24 118.86 21.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.404 HG21 HG12 ' A' ' 36' ' ' ILE . 17.8 t -88.43 111.78 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.421 HD13 ' HE1' ' A' ' 11' ' ' PHE . 5.1 mt -66.34 -53.99 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -145.42 159.31 43.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.224 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.452 ' CE2' HG23 ' A' ' 94' ' ' ILE . 10.1 t-105 -134.71 123.75 24.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 107.984 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 56.35 29.87 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.01 -42.41 2.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.519 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.7 mp -65.5 125.86 90.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.51 36.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.607 HD22 HG13 ' A' ' 90' ' ' VAL . 48.8 mt -109.99 -18.21 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.592 1.182 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 52.5 m -61.48 135.36 57.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m 71.37 42.31 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -132.02 -156.77 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 p -137.92 152.22 48.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.597 ' CE2' HG22 ' A' ' 37' ' ' VAL . 10.1 t80 -38.38 -58.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.368 1.042 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.89 -66.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -40.09 -59.13 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.607 HG13 HD22 ' A' ' 82' ' ' LEU . 87.5 t -50.2 -61.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.39 -58.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -47.53 -48.11 27.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 90' ' ' VAL . 23.3 mt -56.78 -39.08 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.452 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -78.14 -61.87 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 91' ' ' GLN . 5.7 m -66.97 71.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.5 OUTLIER -179.05 70.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -169.6 109.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.8 m -89.25 83.51 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.13 -178.12 17.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -39.04 157.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.276 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.3 164.58 31.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.33 137.92 51.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.412 ' HB ' ' CE3' ' A' ' 77' ' ' TRP . 10.9 tt -127.97 145.4 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' LEU . 34.7 m -125.28 101.24 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -114.63 162.81 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 109.256 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.484 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 63.4 ttt180 -91.61 147.2 23.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 107' ' ' LEU . 13.5 mt -73.07 -80.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 94.8 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.465 HD13 ' H ' ' A' ' 110' ' ' ASN . 0.1 OUTLIER -177.77 136.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.465 ' H ' HD13 ' A' ' 109' ' ' LEU . 13.4 p-10 -149.59 121.72 8.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.534 0.206 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.401 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -89.69 -10.92 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -119.0 162.43 31.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 111.059 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 119.83 5.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.509 1.794 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.78 165.43 27.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.574 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.04 149.24 46.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.407 1.067 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.06 84.88 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -104.6 153.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -113.44 160.29 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 4.6 mt -116.22 115.61 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 mt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 128.68 71.97 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 tt -154.06 132.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.364 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -121.71 112.89 18.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.679 HD13 HG21 ' A' ' 74' ' ' VAL . 11.7 mt -127.71 133.71 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.603 HG13 ' HD2' ' A' ' 87' ' ' TYR . 39.5 t -105.26 117.09 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.09 166.54 29.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.89 10.54 86.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -87.43 146.0 26.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.366 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.06 132.84 41.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.581 HG23 ' HD2' ' A' ' 43' ' ' PRO . 24.5 mt -88.83 140.59 29.43 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.581 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.04 -62.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.22 -68.86 0.66 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -44.76 167.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.726 . . . . 0.0 109.554 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.59 -49.17 10.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.14 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.85 91.49 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -158.97 148.07 18.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.493 HD12 ' O ' ' A' ' 85' ' ' LYS . 5.3 pt -97.81 149.65 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.75 -168.73 23.05 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.451 1.095 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.667 ' HB1' HG22 ' A' ' 36' ' ' ILE . . . -118.94 151.16 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.667 ' C ' HG23 ' A' ' 36' ' ' ILE . 27.6 p90 -151.54 143.55 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.529 HD12 ' HB2' ' A' ' 72' ' ' MET . 67.9 mt -58.11 120.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.95 -52.22 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -141.65 140.46 33.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.449 ' CG1' HG21 ' A' ' 53' ' ' ILE . 3.2 mt -114.1 114.81 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mt -40.61 157.43 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 109.16 2.87 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.484 1.781 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.47 21.58 42.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.74 -159.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.471 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 74.4 m -77.27 -41.05 42.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.11 -34.74 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.89 -30.49 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.42 -51.35 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.9 p -46.51 -53.28 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.31 -32.37 5.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -10.87 57.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -97.19 164.0 12.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.438 ' CG ' ' O ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -172.31 154.29 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.43 157.9 30.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.77 -6.23 75.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.529 ' HB2' HD12 ' A' ' 53' ' ' ILE . 2.8 mmt -78.03 140.54 39.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -91.64 115.42 28.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.679 HG21 HD13 ' A' ' 36' ' ' ILE . 39.7 t -75.31 110.41 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.88 -57.87 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.228 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -137.3 155.94 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.656 ' CD2' HG22 ' A' ' 94' ' ' ILE . 6.0 t-105 -136.57 112.24 9.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 107.983 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 56.92 34.89 25.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.45 -46.17 2.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.098 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.543 ' CG2' HD13 ' A' ' 93' ' ' ILE . 2.7 mp -60.63 119.4 43.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 142.46 28.06 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.974 HD22 HG13 ' A' ' 90' ' ' VAL . 86.4 mt -98.71 -15.13 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' A' ' 84' ' ' SER . 23.4 m -69.15 127.35 32.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 110.396 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 83' ' ' THR . 0.2 OUTLIER 81.13 32.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.493 ' O ' HD12 ' A' ' 49' ' ' ILE . 3.5 mmmt -124.85 -174.82 3.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 57.1 p -121.67 156.45 33.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.343 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.603 ' HD2' HG13 ' A' ' 37' ' ' VAL . 24.0 t80 -39.11 -63.52 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.37 1.044 . . . . 0.0 111.028 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.76 -66.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -39.96 -71.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.546 1.154 . . . . 0.0 110.351 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.974 HG13 HD22 ' A' ' 82' ' ' LEU . 52.0 t -40.92 -63.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.531 ' HA ' HD11 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -46.29 -47.89 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -35.69 77.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.543 HD13 ' CG2' ' A' ' 80' ' ' ILE . 89.4 mt -72.48 -60.21 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.87 HD13 HG12 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -57.26 -34.4 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 91' ' ' GLN . 41.6 m -83.31 179.71 7.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 43.66 60.49 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -126.86 133.48 50.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 t -102.78 142.18 34.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.72 171.18 2.57 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.441 1.088 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -40.6 160.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 0.731 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -138.99 151.14 46.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -107.16 136.4 47.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 tt -128.86 138.96 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 4.0 m -118.47 109.41 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 74' ' ' VAL . 15.9 m -118.39 162.72 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.47 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 22.8 ttt180 -90.24 141.96 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 107' ' ' LEU . 16.2 mt -71.25 -61.83 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.388 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -93.49 88.8 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -177.13 124.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -133.19 141.22 47.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.589 0.233 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pp -59.32 -31.73 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -100.49 161.39 24.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 132.1 15.1 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.552 1.817 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.35 168.23 20.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.96 128.81 20.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -103.82 92.35 4.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.13 141.72 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -101.96 156.37 17.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.786 HD11 HD12 ' A' ' 103' ' ' ILE . 4.6 mt -127.33 119.43 52.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.457 ' HA ' ' CB ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.667 ' CD1' ' HB3' ' A' ' 101' ' ' ALA . 16.9 mt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 38.85 67.9 0.52 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.498 HD12 ' HB1' ' A' ' 62' ' ' ALA . 12.4 tt -155.02 140.95 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -114.98 104.95 12.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -113.47 116.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 55.9 t -93.81 122.83 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.31 173.64 24.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.45 30.37 77.4 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.501 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -103.19 138.14 40.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.17 138.69 58.43 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.539 HD11 ' HA3' ' A' ' 50' ' ' GLY . 13.1 mt -107.76 139.97 21.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.95 -72.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.544 1.813 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.14 -50.89 5.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.17 138.75 58.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 0.754 . . . . 0.0 109.6 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -64.13 85.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.02 74.11 0.17 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -139.45 138.51 36.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 85' ' ' LYS . 6.8 pt -79.64 157.39 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.539 ' HA3' HD11 ' A' ' 42' ' ' ILE . . . -167.31 -152.06 7.25 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 37' ' ' VAL . . . -137.13 148.82 46.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 0.801 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 18.7 p90 -151.21 148.11 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.583 HD12 ' HB2' ' A' ' 72' ' ' MET . 3.9 mt -61.34 107.41 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.26 -56.03 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -138.83 143.0 38.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.138 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mt -110.7 106.48 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -41.19 150.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.4 Cg_endo -75.03 137.77 22.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 37.22 52.96 1.67 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.58 -165.8 24.45 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.47 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 68.4 m -77.28 -33.63 55.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.062 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.498 ' HB1' HD12 ' A' ' 34' ' ' ILE . . . -72.4 -48.71 39.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.13 -27.26 67.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -48.96 66.13 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.418 1.074 . . . . 0.0 110.278 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.2 p -51.54 -45.09 62.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.382 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.2 11.59 85.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -109.11 -24.77 11.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.37 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -80.42 144.99 32.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.5 mmt -143.21 151.84 41.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.53 150.25 47.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.05 -35.66 3.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.145 . . . . 0.0 110.961 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.583 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.8 mmm -45.46 135.38 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.458 ' OE1' ' CG2' ' A' ' 42' ' ' ILE . 36.0 tt0 -91.18 114.53 27.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.71 109.63 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' CYS . 3.1 mt -65.18 -58.53 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -137.95 155.85 48.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.593 ' CE3' HG13 ' A' ' 103' ' ' ILE . 15.5 t-105 -127.14 121.89 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 108.076 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.595 HD21 ' HB1' ' A' ' 101' ' ' ALA . 1.4 m-80 53.06 29.98 8.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.64 -37.76 3.32 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.662 ' H ' HD12 ' A' ' 80' ' ' ILE . 4.2 mp -69.79 126.9 92.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.69 43.29 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.442 1.759 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.869 HD22 HG13 ' A' ' 90' ' ' VAL . 78.6 mt -118.17 -2.53 11.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.386 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.427 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.9 m -76.67 129.37 36.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 83' ' ' THR . 0.4 OUTLIER 80.49 35.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.72 ' O ' HD12 ' A' ' 49' ' ' ILE . 7.1 mmtt -130.31 -175.79 3.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.8 p -123.47 157.53 33.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -37.75 -58.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.375 1.047 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -50.86 -70.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLU . 2.4 mt-10 -38.85 -65.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.869 HG13 HD22 ' A' ' 82' ' ' LEU . 91.8 t -42.28 -59.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -41.85 -63.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -52.86 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mt -52.34 -43.34 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -74.74 -58.95 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -38.55 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -48.18 109.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.422 ' NE2' ' OD1' ' A' ' 78' ' ' ASN . 11.0 tp-100 -160.67 -79.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.86 67.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.77 176.95 14.62 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.457 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -41.85 156.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 110.338 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.667 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . . . -153.61 158.49 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -102.92 169.75 8.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.786 HD12 HD11 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -145.97 152.33 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' LEU . 42.2 t -140.2 88.16 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.522 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -109.34 164.97 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.831 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 28.1 ttp180 -97.36 140.9 31.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 108' ' ' ASP . 48.6 mt -71.68 -99.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 107' ' ' LEU . 17.4 m-20 -43.67 166.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.831 HD22 ' CZ ' ' A' ' 106' ' ' ARG . 9.6 tt 69.1 159.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.211 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.594 ' N ' HD23 ' A' ' 109' ' ' LEU . 41.0 t30 -172.89 137.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.672 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 2.1 m-85 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.437 0.16 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 pp -68.43 -35.22 69.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.672 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 30.0 p90 -87.98 161.73 43.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.39 6.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -145.2 162.48 37.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.26 136.24 49.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.564 ' C ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -125.31 92.78 3.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.586 ' N ' HD12 ' A' ' 16' ' ' ILE . 4.3 mp -126.16 165.5 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.43 154.69 26.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.752 HD11 HG21 ' A' ' 103' ' ' ILE . 8.3 mm -104.31 117.5 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.522 ' HA3' HD12 ' A' ' 57' ' ' LEU . . . -78.66 72.29 2.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.604 HD12 ' HB2' ' A' ' 62' ' ' ALA . 11.9 tt -131.91 132.07 61.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -114.68 105.39 13.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' TYR . 75.0 mt -120.57 127.86 75.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -104.89 118.56 52.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.33 163.06 27.41 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.423 1.077 . . . . 0.0 111.062 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.71 51.63 24.23 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -123.2 141.85 51.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -65.83 133.97 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 15.3 mt -98.21 140.01 21.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.05 101.0 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.572 1.827 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.52 78.36 1.09 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -163.05 38.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.602 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.88 40.18 24.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.55 68.32 1.76 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -122.45 156.8 33.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 0.809 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 pt -103.82 160.03 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.33 -160.66 12.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.552 1.158 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.19 142.88 51.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.368 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 27.8 p90 -145.54 164.85 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.448 HG21 HG12 ' A' ' 56' ' ' ILE . 91.7 mt -81.57 116.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.64 -52.24 12.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -148.14 147.38 29.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.451 ' N ' ' CD ' ' A' ' 55' ' ' LYS . 3.4 mt -109.63 112.8 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.522 HD12 ' HA3' ' A' ' 33' ' ' GLY . 7.4 mt -54.54 162.65 1.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 125.56 9.43 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.479 1.779 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 44.13 35.63 3.67 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.28 178.02 53.07 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 m -55.49 -33.13 63.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.771 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 34' ' ' ILE . . . -79.19 -60.06 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.43 -27.14 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -38.93 69.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.474 HG21 HD13 ' A' ' 18' ' ' ILE . 43.2 p -63.12 -46.93 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.07 -39.79 3.08 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -12.78 60.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.783 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.51 HD11 HD13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -90.46 152.83 20.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.96 170.77 19.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.177 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -77.51 157.85 30.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.41 22.22 65.34 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.408 1.068 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.404 ' O ' ' HA ' ' A' ' 52' ' ' TYR . 13.8 mmm -93.43 126.77 38.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -81.58 116.37 21.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.2 t -86.71 111.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 104' ' ' CYS . 11.2 mt -63.22 -55.84 21.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.494 ' CG ' ' HA ' ' A' ' 81' ' ' PRO . 2.7 mt-10 -138.94 162.1 35.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.508 ' CE2' HG23 ' A' ' 94' ' ' ILE . 32.9 t-105 -139.04 119.08 13.39 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 60.11 29.67 19.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.92 -46.38 2.27 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.9 mp -64.47 124.48 86.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.0 109.37 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.494 ' HA ' ' CG ' ' A' ' 76' ' ' GLU . 18.7 Cg_endo -74.89 152.35 41.23 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.495 1.787 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.631 HD13 HG13 ' A' ' 90' ' ' VAL . 23.8 mt -114.81 9.98 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.239 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 84' ' ' SER . 30.8 m -84.8 122.14 28.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 83' ' ' THR . 3.0 t 84.25 33.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -123.14 -162.27 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.5 p -135.96 152.12 50.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.59 1.181 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -37.72 -57.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.75 -67.17 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.338 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -41.33 -64.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.665 HG12 HD11 ' A' ' 94' ' ' ILE . 71.1 t -43.87 -57.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.516 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.33 -52.53 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.91 -40.64 80.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.53 HG21 HD21 ' A' ' 82' ' ' LEU . 62.1 mt -62.44 -35.02 67.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.665 HD11 HG12 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -85.07 -66.03 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 91' ' ' GLN . 1.2 t -53.15 153.31 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.066 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 55.16 102.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.99 -163.32 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.33 73.57 0.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.941 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.5 -130.41 20.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 2.2 pp20? -53.33 -179.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.73 149.35 1.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.13 136.24 33.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.752 HG21 HD11 ' A' ' 18' ' ' ILE . 6.7 tt -121.97 112.57 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' LEU . 36.9 m -100.3 103.05 14.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -118.94 163.89 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.703 ' HD3' HD23 ' A' ' 109' ' ' LEU . 71.0 ttt180 -90.58 156.33 18.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 107' ' ' LEU . 11.8 mt -81.6 -85.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -70.14 86.74 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.703 HD23 ' HD3' ' A' ' 106' ' ' ARG . 0.3 OUTLIER -157.25 139.21 14.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.07 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.556 ' N ' HD13 ' A' ' 109' ' ' LEU . 2.9 t-20 -137.89 134.8 35.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 14.2 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.498 0.189 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.04 -25.45 27.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 30.5 p90 -96.6 161.66 25.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 125.37 9.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.397 1.735 . . . . 0.0 111.041 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.07 169.65 18.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.38 151.54 40.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 28.3 mtm105 -122.72 90.38 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.6 mp -96.93 156.0 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -116.08 130.86 57.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.396 1.06 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.582 HG22 HD22 ' A' ' 32' ' ' LEU . 4.0 mt -91.32 121.2 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.582 HD22 HG22 ' A' ' 18' ' ' ILE . 98.0 mt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.39 76.67 1.03 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 tt -151.0 137.75 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.7 109.9 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.585 HD13 HG21 ' A' ' 74' ' ' VAL . 72.5 mt -118.22 130.41 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.217 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.467 HG22 ' CE2' ' A' ' 87' ' ' TYR . 18.1 t -108.56 131.73 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.79 -171.19 25.46 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.89 36.13 49.69 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.508 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -114.02 137.94 51.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.34 142.36 58.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.506 HD13 ' NE2' ' A' ' 73' ' ' GLN . 22.3 mt -100.8 139.81 20.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.7 Cg_endo -74.92 -47.22 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.441 1.759 . . . . 0.0 111.034 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.81 -65.08 3.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -55.89 168.74 0.42 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 0.785 . . . . 0.0 109.576 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.4 m -109.44 121.24 44.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.973 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 39.69 65.89 0.82 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.03 139.5 23.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 110.228 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.537 HD12 ' O ' ' A' ' 85' ' ' LYS . 4.9 pt -98.71 150.76 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.7 -155.32 7.39 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.44 156.24 43.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 20.4 p90 -160.62 147.06 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.456 HD11 HD12 ' A' ' 68' ' ' LEU . 88.7 mt -56.54 113.02 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.83 -55.27 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -136.91 139.73 41.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LEU . 2.2 mt -107.32 108.98 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.494 1.122 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ILE . 1.2 mm? -40.22 152.69 0.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.1 Cg_endo -75.12 132.69 15.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 36.8 44.46 0.94 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.31 -174.73 40.5 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m -64.54 -32.75 74.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 0.763 . . . . 0.0 110.045 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.08 -61.96 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.94 -23.25 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -56.1 26.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.4 p -42.92 -54.89 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.421 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.24 -38.81 2.98 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -35.81 81.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.497 HD11 HG21 ' A' ' 103' ' ' ILE . 1.1 mm? -69.58 145.32 52.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.76 154.7 24.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.15 157.15 23.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.95 12.76 83.74 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.4 mmt -95.34 119.72 34.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.601 0.824 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.506 ' NE2' HD13 ' A' ' 42' ' ' ILE . 42.8 tt0 -71.19 116.37 11.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 110.353 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 36' ' ' ILE . 40.4 t -80.36 109.83 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.71 -55.41 6.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -140.16 151.13 45.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.655 ' CE2' HG23 ' A' ' 94' ' ' ILE . 31.2 t-105 -128.46 114.22 16.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.737 HD21 ' HB1' ' A' ' 101' ' ' ALA . 2.4 m-80 56.36 30.25 16.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.93 -52.67 0.9 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 80' ' ' ILE . 4.8 mp -59.39 126.51 82.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.467 ' O ' HD23 ' A' ' 82' ' ' LEU . 18.4 Cg_endo -75.0 155.78 42.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.593 1.838 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.504 HD13 HG13 ' A' ' 90' ' ' VAL . 58.5 mt -124.0 35.46 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -108.78 140.59 42.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.468 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.07 36.44 9.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.962 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.537 ' O ' HD12 ' A' ' 49' ' ' ILE . 4.2 mmtt -122.4 -157.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.374 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 90' ' ' VAL . 82.2 p -138.96 163.19 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.467 ' CE2' HG22 ' A' ' 37' ' ' VAL . 6.0 t80 -45.55 -62.6 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.0 -63.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -44.67 -64.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.504 HG13 HD13 ' A' ' 82' ' ' LEU . 84.1 t -45.39 -61.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 95' ' ' SER . 15.6 tt0 -41.46 -62.87 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.3 t -40.45 -51.12 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.057 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.563 HD13 ' CG2' ' A' ' 80' ' ' ILE . 29.4 mt -54.81 -42.87 64.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.655 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -75.09 -63.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -54.4 -169.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 78.42 -60.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -70.52 147.34 49.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.312 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.99 101.94 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.919 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 147.66 -163.94 28.79 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.471 1.107 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 16.0 tt0 -49.55 152.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.594 0.82 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.737 ' HB1' HD21 ' A' ' 78' ' ' ASN . . . -163.07 162.6 25.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.76 134.64 54.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.497 HG21 HD11 ' A' ' 68' ' ' LEU . 6.5 tt -121.91 132.94 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 52.1 m -114.5 114.02 25.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.271 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.42 174.72 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.614 1.196 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.639 ' HD2' HD23 ' A' ' 109' ' ' LEU . 26.6 ttm180 -113.81 121.97 45.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.7 mt -52.9 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -76.63 82.48 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.716 HD13 ' H ' ' A' ' 110' ' ' ASN . 0.2 OUTLIER -167.31 148.72 5.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.716 ' H ' HD13 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -155.6 138.84 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.059 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.668 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 5.0 m-85 . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.546 0.212 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.33 -10.15 13.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.668 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 8.4 p90 -115.87 163.22 21.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.96 5.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.563 1.822 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.519 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -136.08 174.79 10.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.97 150.42 29.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -123.33 95.1 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.7 mp -116.16 119.93 63.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 133.03 34.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 2.4 mt -76.78 119.72 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 110.445 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.74 87.34 1.97 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.574 HD12 ' HB1' ' A' ' 62' ' ' ALA . 4.9 tt -156.39 135.88 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.581 0.812 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.38 110.55 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.542 HD13 HG21 ' A' ' 74' ' ' VAL . 50.7 mt -117.3 130.51 72.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.02 122.51 61.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.55 179.29 38.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.437 1.086 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.47 47.98 72.94 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.527 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -124.16 127.44 47.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 0.81 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.88 137.8 37.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.5 mt -94.29 117.32 67.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 65.41 6.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.33 -50.87 0.09 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.486 1.116 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -68.59 176.39 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 109.605 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.33 87.57 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.03 73.97 0.23 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -137.32 141.2 41.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.09 144.58 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.23 -142.18 3.56 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.413 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -138.42 143.6 39.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.239 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 23.7 p90 -143.17 148.14 36.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.541 HD12 ' HB2' ' A' ' 72' ' ' MET . 6.1 mt -66.61 108.97 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.28 -55.76 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -137.19 147.95 46.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.437 HG22 ' CD ' ' A' ' 63' ' ' GLU . 2.5 mt -115.83 106.88 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 3.3 mm? -39.93 145.11 0.48 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 60' ' ' GLY . 18.2 Cg_endo -75.04 147.4 33.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 37.56 31.89 0.09 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 58' ' ' PRO . . . -86.38 -171.07 47.54 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.46 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 22.5 m -78.57 -41.44 31.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 110.017 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.574 ' HB1' HD12 ' A' ' 34' ' ' ILE . . . -67.24 -38.47 85.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' CD ' HG22 ' A' ' 56' ' ' ILE . 1.2 tp10 -73.69 -28.93 62.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -51.89 67.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -40.02 -53.48 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.2 -36.89 3.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -68.16 -25.4 65.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.79 140.02 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.1 mtm -155.21 157.86 37.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.3 146.21 54.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.04 6.57 69.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.413 1.07 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.541 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.3 mmt -88.59 123.54 33.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.402 ' NE2' HD23 ' A' ' 75' ' ' LEU . 12.7 tt0 -73.0 116.11 13.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.241 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.651 ' CG1' HD12 ' A' ' 82' ' ' LEU . 82.0 t -74.28 109.7 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.402 HD23 ' NE2' ' A' ' 73' ' ' GLN . 81.6 mt -77.43 -58.56 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 103' ' ' ILE . 0.7 OUTLIER -139.41 152.32 46.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.682 ' HE3' HD13 ' A' ' 103' ' ' ILE . 69.6 t-105 -131.46 117.08 18.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.575 ' N ' HD22 ' A' ' 78' ' ' ASN . 1.3 m-80 51.02 35.45 12.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.84 -45.33 2.33 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.639 HG22 HD13 ' A' ' 93' ' ' ILE . 3.4 mp -64.52 119.49 57.38 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -74.96 156.18 43.14 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.651 HD12 ' CG1' ' A' ' 74' ' ' VAL . 28.8 mt -121.19 39.61 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.2 m -105.15 128.03 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.393 1.058 . . . . 0.0 110.496 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 t 67.14 47.61 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -128.38 178.55 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.8 p -112.94 152.43 29.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -37.81 -57.55 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.183 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.84 -66.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -39.19 -66.7 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.227 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.537 HG13 HD22 ' A' ' 82' ' ' LEU . 46.1 t -43.44 -58.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.2 OUTLIER -45.98 -40.66 10.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.2 t -64.86 -35.76 82.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.639 HD13 HG22 ' A' ' 80' ' ' ILE . 68.3 mt -67.7 -34.99 71.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.59 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -84.81 -61.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 91' ' ' GLN . 2.5 t -38.77 137.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.07 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 74.22 94.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -134.61 153.77 51.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 m -124.07 134.05 53.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 46.62 -142.43 5.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.409 1.068 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.36 179.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.242 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -161.84 162.1 29.26 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.229 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.57 137.72 46.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.682 HD13 ' HE3' ' A' ' 77' ' ' TRP . 2.4 tp -135.77 154.15 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.633 ' H ' HD12 ' A' ' 103' ' ' ILE . 18.0 t -140.63 116.29 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.264 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.8 m -116.67 176.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.645 ' NH2' ' CZ ' ' A' ' 11' ' ' PHE . 27.7 ttm180 -118.58 114.51 22.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.361 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.4 mt -54.22 -68.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -41.07 -72.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.64 131.0 3.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.56 101.28 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.542 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 4.3 m-85 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.495 0.188 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -75.0 -26.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.542 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 23.5 p90 -99.89 161.25 24.95 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 127.72 10.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.493 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -145.53 172.63 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.615 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -154.0 152.63 30.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -117.93 83.91 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' A' ' 17' ' ' LYS . 2.9 mt -77.64 159.25 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.43 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -110.03 147.8 32.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 16.2 mm -104.99 117.16 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 110.357 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.2 mt . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 41.72 39.74 2.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.455 HD12 ' HB2' ' A' ' 62' ' ' ALA . 19.5 tt -131.45 136.53 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -109.35 107.59 17.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.651 HD13 HG21 ' A' ' 74' ' ' VAL . 96.6 mt -121.79 122.09 65.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.659 HG22 ' CE2' ' A' ' 87' ' ' TYR . 24.2 t -99.66 127.89 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.0 -168.64 33.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.525 1.141 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.62 38.66 29.18 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 1.6 tptp -110.97 141.1 44.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.02 131.64 39.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 43' ' ' PRO . 9.4 mt -92.95 140.21 23.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 128.07 11.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.07 -41.54 2.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 0.0 111.045 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.74 143.67 46.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 0.805 . . . . 0.0 109.596 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.69 93.48 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.27 68.92 0.79 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.56 145.89 39.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 6.2 pt -108.14 167.34 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.596 1.185 . . . . 0.0 109.227 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.62 -150.48 6.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -137.49 146.5 44.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -150.81 151.51 32.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.568 HD12 ' HB2' ' A' ' 72' ' ' MET . 7.7 mt -66.34 117.51 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.38 -52.03 10.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 28.7 tptt -158.58 125.23 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.852 HD12 ' HG3' ' A' ' 70' ' ' GLU . 3.6 mt -74.62 97.92 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' ILE . 1.4 mp -40.5 152.68 0.23 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 60' ' ' GLY . 18.3 Cg_endo -74.96 150.46 38.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.553 1.817 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.45 30.48 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.434 1.084 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' PRO . . . -89.65 179.3 44.47 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.44 ' HB3' HG22 ' A' ' 18' ' ' ILE . 52.9 m -70.85 -26.0 63.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 0.809 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.455 ' HB2' HD12 ' A' ' 34' ' ' ILE . . . -77.99 -52.74 8.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -58.07 -20.08 36.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.593 1.183 . . . . 0.0 110.363 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.71 -58.6 7.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.076 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 65' ' ' THR . 81.4 p -39.35 -50.84 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.13 -32.11 5.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -74.38 -39.54 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.358 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.19 139.79 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mtt -137.86 133.15 33.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.958 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.852 ' HG3' HD12 ' A' ' 56' ' ' ILE . 4.7 mp0 -53.45 148.56 8.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.72 5.86 83.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.147 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.568 ' HB2' HD12 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -84.76 117.68 23.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.957 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.472 ' NE2' HD13 ' A' ' 42' ' ' ILE . 19.9 tt0 -67.74 123.58 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.651 HG21 HD13 ' A' ' 36' ' ' ILE . 39.4 t -87.59 109.59 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.5 mt -72.38 -54.66 8.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -141.32 159.54 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.678 ' CD2' HG23 ' A' ' 94' ' ' ILE . 34.9 t-105 -134.37 104.14 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 66.27 29.63 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.13 -54.86 0.68 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.491 HG22 HD13 ' A' ' 93' ' ' ILE . 3.4 mp -56.31 119.9 31.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 150.25 38.23 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.544 1.813 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.708 HD13 HG13 ' A' ' 90' ' ' VAL . 84.6 mt -114.07 34.01 4.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.4 m -107.92 126.13 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.431 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.55 42.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -126.95 -156.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.48 ' O ' HG23 ' A' ' 90' ' ' VAL . 29.5 p -134.0 153.17 51.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 110.361 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.659 ' CE2' HG22 ' A' ' 37' ' ' VAL . 4.2 t80 -40.79 -52.38 3.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.394 1.059 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.66 -66.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.179 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -39.86 -60.95 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.708 HG13 HD13 ' A' ' 82' ' ' LEU . 87.3 t -43.11 -64.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -37.55 -64.23 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.361 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.35 -54.43 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.515 HG21 HD21 ' A' ' 82' ' ' LEU . 33.4 mt -51.14 -41.42 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.364 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.678 HG23 ' CD2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -76.84 -62.68 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -52.86 162.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.984 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 70.57 70.95 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.398 1.062 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -173.45 76.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -96.35 74.08 2.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 175.63 45.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 3.7 tt0 68.24 148.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -150.42 162.1 41.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.71 134.66 49.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.452 HG21 HD11 ' A' ' 18' ' ' ILE . 3.6 tt -121.03 128.82 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 50.3 t -107.98 103.07 12.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.6 m -114.97 159.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.698 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 12.4 ttp85 -95.58 135.97 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' ASP . 20.9 mt -67.72 -96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -48.46 175.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.698 HD22 ' CZ ' ' A' ' 106' ' ' ARG . 7.7 tt 59.48 156.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.242 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.558 ' N ' HD23 ' A' ' 109' ' ' LEU . 4.3 m-80 -154.41 163.87 39.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.713 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 2.4 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.533 0.206 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pt -85.77 -19.86 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.713 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 28.0 p90 -103.53 161.52 22.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.758 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.7 Cg_endo -74.93 120.16 5.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -136.4 -173.05 3.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.49 125.81 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.453 1.096 . . . . 0.0 109.394 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -92.23 86.83 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.492 ' CD1' ' CB ' ' A' ' 67' ' ' LYS . 85.1 mt -85.95 147.34 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.3 161.23 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.682 HD11 ' CG2' ' A' ' 103' ' ' ILE . 12.9 mm -119.69 115.72 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.647 HG22 ' HG2' ' A' ' 100' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.97 83.49 0.69 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.619 HD12 ' CB ' ' A' ' 62' ' ' ALA . 6.2 tt -144.94 132.58 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -117.27 105.19 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.239 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.552 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 54.3 mt -113.05 132.26 62.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.496 HG22 ' CE2' ' A' ' 87' ' ' TYR . 4.1 t -107.5 124.53 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.89 151.42 18.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.568 1.167 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.59 8.65 54.35 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -87.99 136.57 32.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -73.48 125.42 27.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.6 mt -77.71 135.42 64.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.403 ' CD ' ' HG2' ' A' ' 111' ' ' MET . 18.3 Cg_endo -75.0 66.53 6.02 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.0 79.59 0.3 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.22 43.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.657 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.11 58.91 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.072 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.27 67.86 1.01 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.461 1.1 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -128.84 141.49 51.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.4 pt -86.78 175.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 177.85 -159.37 25.11 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.552 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -125.56 148.41 48.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.783 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -152.18 148.74 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.756 HD11 HD12 ' A' ' 68' ' ' LEU . 40.8 mt -57.25 113.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.2 -54.16 4.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -134.72 144.46 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 69' ' ' MET . 2.5 mt -119.73 107.36 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -40.96 151.05 0.28 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 99.63 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.58 45.25 90.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.51 -147.22 17.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.594 0.82 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 m -80.67 -36.4 32.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.619 ' CB ' HD12 ' A' ' 34' ' ' ILE . . . -76.55 -57.32 3.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -51.71 -25.18 6.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -58.84 6.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.9 p -41.58 -59.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.75 -52.25 0.65 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.558 1.161 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.492 ' CB ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.24 -29.83 64.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.576 0.81 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.756 HD12 HD11 ' A' ' 53' ' ' ILE . 2.9 mm? -73.89 126.52 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 2.0 ttp -151.62 152.4 32.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 69' ' ' MET . 1.4 mt-10 -55.33 150.85 10.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.75 -5.53 84.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.1 mmm -82.86 125.28 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.76 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.548 ' NE2' HD23 ' A' ' 75' ' ' LEU . 11.5 tm0? -69.76 146.67 51.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 110.264 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.595 ' CG1' HD12 ' A' ' 82' ' ' LEU . 93.7 t -115.53 110.08 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.548 HD23 ' NE2' ' A' ' 73' ' ' GLN . 16.3 mt -81.73 -56.93 3.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 26.7 mt-10 -138.15 150.49 46.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.723 ' CE2' HG23 ' A' ' 94' ' ' ILE . 16.2 t-105 -129.15 107.26 9.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.2 m-20 69.82 29.73 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.72 -47.05 1.57 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 80' ' ' ILE . 4.5 mp -64.38 127.7 92.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 18.3 Cg_endo -75.03 154.55 42.41 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.468 1.773 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.736 HD22 HG13 ' A' ' 90' ' ' VAL . 74.0 mt -120.65 33.09 5.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -109.29 140.33 43.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t 67.9 32.18 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.033 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -121.03 -164.35 1.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.4 p -131.87 156.66 45.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.496 ' CE2' HG22 ' A' ' 37' ' ' VAL . 8.3 t80 -38.63 -62.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -48.21 -69.62 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' VAL . 26.5 mt-10 -38.84 -67.38 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.736 HG13 HD22 ' A' ' 82' ' ' LEU . 72.0 t -40.08 -63.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.7 OUTLIER -39.38 -62.11 0.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -54.32 3.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 80' ' ' ILE . 32.3 mt -50.48 -38.39 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.723 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -80.75 -61.5 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -37.33 -47.23 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -68.0 112.75 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.423 ' OE1' ' ND2' ' A' ' 78' ' ' ASN . 55.5 tp60 -179.08 148.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.3 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.84 80.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . 132.63 51.58 0.09 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.647 ' HG2' HG22 ' A' ' 19' ' ' THR . 3.3 mp0 60.27 145.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -135.2 166.54 22.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.1 mt-10 -109.75 136.08 49.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.682 ' CG2' HD11 ' A' ' 18' ' ' ILE . 14.3 tt -118.97 131.04 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.8 t -106.96 115.03 29.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 108.287 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.614 HG11 HD13 ' A' ' 68' ' ' LEU . 27.6 m -113.17 159.93 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.554 ' HD2' HD12 ' A' ' 109' ' ' LEU . 34.9 ttm180 -110.24 104.75 13.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.758 HD12 ' HB2' ' A' ' 12' ' ' PRO . 14.7 mt -40.48 -71.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.35 -169.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 110' ' ' ASN . 0.4 OUTLIER 65.07 -83.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.17 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.735 ' N ' HD13 ' A' ' 109' ' ' LEU . 4.0 m120 61.59 143.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.403 ' HG2' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.616 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.471 0.177 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 pt -59.23 -36.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.616 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 4.6 p90 -92.33 161.66 32.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.4 Cg_endo -75.05 138.54 23.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.22 169.06 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.616 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.05 108.4 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 98.09 9.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 mm -127.68 154.1 37.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -111.06 127.39 55.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.233 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -88.14 117.95 32.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 99' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.462 ' CA ' ' HG ' ' A' ' 57' ' ' LEU . . . 79.3 69.55 1.39 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.565 HD12 ' CB ' ' A' ' 62' ' ' ALA . 2.7 tt -151.74 128.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.06 117.49 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -119.93 129.92 74.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.5 121.5 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.69 -177.22 39.8 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.21 57.06 6.57 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.4 138.78 51.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 0.728 . . . . 0.0 109.355 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.54 133.52 55.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.508 HD13 HE22 ' A' ' 73' ' ' GLN . 18.2 mt -93.66 139.97 22.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.92 -63.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.54 1.811 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.61 -51.96 3.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -70.08 168.85 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.636 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -53.02 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.09 92.6 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -161.45 139.44 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.1 pt -96.8 139.46 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.96 -159.5 8.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.26 144.93 51.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 0.803 . . . . 0.0 109.37 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -146.86 151.99 37.97 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 0.0 111.058 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.6 mt -71.91 108.15 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.27 -55.58 31.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -157.17 175.53 13.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mt -115.26 152.17 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.462 ' HG ' ' CA ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -81.97 154.14 70.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 102.32 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.529 1.805 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.08 43.98 37.84 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.47 -173.93 35.43 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.9 m -71.05 -39.95 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 110.044 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.565 ' CB ' HD12 ' A' ' 34' ' ' ILE . . . -65.47 -36.29 83.43 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -30.74 64.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -56.07 26.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.4 p -39.9 -59.88 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.22 -11.2 72.71 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.164 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 -28.07 21.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.32 157.42 34.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mtt -147.88 147.85 30.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.95 151.51 47.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.78 32.79 74.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.64 138.59 40.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.508 HE22 HD13 ' A' ' 42' ' ' ILE . 53.2 tt0 -86.09 122.36 30.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.98 118.98 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.32 -51.8 14.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -145.38 162.08 38.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.714 ' CD2' HG22 ' A' ' 94' ' ' ILE . 1.4 t-105 -135.62 115.54 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 58.1 30.19 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.69 -47.42 1.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.671 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.2 mp -58.27 125.29 74.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.577 0.81 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.47 32.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.586 1.835 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.712 HD13 HG13 ' A' ' 90' ' ' VAL . 58.3 mt -115.46 24.75 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.6 m -103.15 138.5 39.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.9 t 66.83 30.52 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -114.48 -154.65 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 p -139.31 152.03 46.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.363 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -37.24 -60.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -48.04 -67.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' VAL . 17.6 mt-10 -38.51 -71.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.712 HG13 HD13 ' A' ' 82' ' ' LEU . 59.9 t -39.51 -46.39 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.517 ' HA ' HD11 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -62.8 -50.96 68.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 t -57.63 -29.67 64.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.028 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.61 -59.92 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.714 HG22 ' CD2' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -58.74 -31.81 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 91' ' ' GLN . 30.9 t -66.75 151.79 46.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.011 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 66.01 -160.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 75.5 43.32 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.16 -171.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.474 ' O ' HD13 ' A' ' 32' ' ' LEU . . . -66.74 -82.89 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 100' ' ' GLU . 0.7 OUTLIER -44.87 164.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.322 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.484 ' HB1' ' CZ2' ' A' ' 77' ' ' TRP . . . -173.54 162.41 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -113.05 136.54 52.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.649 HD12 ' CE3' ' A' ' 77' ' ' TRP . 4.3 tt -127.39 144.08 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 51.2 t -124.21 97.52 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 108.341 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.508 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -111.42 163.91 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.508 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 56.0 ttt180 -92.74 150.64 20.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 107' ' ' LEU . 13.1 mt -75.4 -77.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.57 92.87 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.59 124.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -117.92 155.39 30.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.384 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.628 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 1.7 m-85 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.522 0.201 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.5 pt -69.52 -26.03 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.083 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.628 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 46.6 p90 -99.34 162.19 22.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.625 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.3 Cg_endo -74.97 117.65 4.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.413 ' ND1' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -141.28 173.62 11.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.569 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.83 143.62 25.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -110.79 101.22 9.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.315 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.9 mp -117.35 109.34 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.492 ' HD3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -84.66 128.84 34.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 61' ' ' SER . 3.5 mt -76.95 120.81 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.757 HG22 ' HG2' ' A' ' 100' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.448 HD12 ' HG3' ' A' ' 97' ' ' GLN . 1.2 mp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.25 84.06 0.51 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.427 HG21 ' CH2' ' A' ' 77' ' ' TRP . 2.9 tt -156.66 127.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.454 0.737 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.82 112.78 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.595 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 67.8 mt -120.4 128.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.58 HG22 ' CE2' ' A' ' 87' ' ' TYR . 26.0 t -100.08 117.44 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.52 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -89.62 -171.96 45.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.553 1.158 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.24 18.43 9.62 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.553 ' HG2' ' CE1' ' A' ' 52' ' ' TYR . 22.1 tptm -89.87 145.87 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.747 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.616 ' HG2' ' HE2' ' A' ' 45' ' ' HIS . 3.7 tt0 -75.1 127.76 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.722 HG23 ' HD2' ' A' ' 43' ' ' PRO . 13.7 mt -72.12 142.4 84.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.722 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.02 57.56 4.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.84 92.6 0.71 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.382 1.051 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.616 ' HE2' ' HG2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -156.41 -179.42 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 109.59 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -106.84 54.11 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.84 72.56 0.99 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.084 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.885 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -137.59 -153.42 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 0.729 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.885 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -176.77 128.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.72 -169.27 12.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.595 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -119.52 148.91 42.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 28.5 p90 -141.56 155.98 45.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.622 HD12 ' HB2' ' A' ' 72' ' ' MET . 31.0 mt -67.83 116.96 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.411 1.069 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.64 -53.51 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -154.03 136.8 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' LEU . 3.4 mt -78.18 90.55 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.748 HD13 ' HD2' ' A' ' 58' ' ' PRO . 0.9 OUTLIER -38.25 142.62 0.46 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.748 ' HD2' HD13 ' A' ' 57' ' ' LEU . 18.4 Cg_endo -75.07 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.03 -62.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.05 5.39 8.9 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.4 m -82.47 -54.71 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.36 -16.81 19.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -79.55 -18.36 51.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' THR . 0.6 OUTLIER -75.95 -51.77 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' GLN . 38.6 p -37.7 -53.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.354 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.1 -40.19 3.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.27 -15.22 32.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -86.62 145.59 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.2 mtm -153.66 147.23 25.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.88 149.06 45.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.98 -9.87 70.59 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.622 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.5 mmt -62.64 119.79 9.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 0.787 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.35 101.42 0.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.544 HG21 HD13 ' A' ' 36' ' ' ILE . 99.5 t -72.31 110.74 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.357 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.49 -54.38 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 17.4 mt-10 -140.35 159.77 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.722 ' HE3' HD13 ' A' ' 103' ' ' ILE . 30.5 t-105 -140.08 118.0 11.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.436 ' O ' HD12 ' A' ' 80' ' ' ILE . 4.4 m-80 60.13 29.68 19.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.52 -42.96 2.38 Favored Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.651 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.2 mp -67.98 127.17 93.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.413 0.714 . . . . 0.0 109.215 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.449 ' O ' HD23 ' A' ' 82' ' ' LEU . 18.0 Cg_endo -75.1 156.67 42.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.676 HD13 HG13 ' A' ' 90' ' ' VAL . 75.8 mt -122.83 34.83 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -104.81 139.35 39.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.494 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.82 39.1 8.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.988 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -125.05 -172.31 2.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' TYR . 23.7 p -126.78 153.43 45.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.415 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.58 ' CE2' HG22 ' A' ' 37' ' ' VAL . 14.9 t80 -37.06 -54.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.063 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -54.12 -72.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.565 1.166 . . . . 0.0 110.342 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' GLU . 20.7 mt-10 -37.73 -65.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.676 HG13 HD13 ' A' ' 82' ' ' LEU . 75.7 t -40.46 -60.77 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -45.32 -43.03 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -35.36 77.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.531 HD13 HG22 ' A' ' 80' ' ' ILE . 59.6 mt -70.89 -36.97 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.608 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -81.92 -69.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.369 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 91' ' ' GLN . 80.5 p -40.92 158.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 72.72 66.24 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.448 ' HG3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -127.35 167.33 16.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 98.6 p -156.95 99.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.81 -147.51 16.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.757 ' HG2' HG22 ' A' ' 19' ' ' THR . 0.2 OUTLIER -61.44 -175.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.35 122.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 142.34 38.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.722 HD13 ' HE3' ' A' ' 77' ' ' TRP . 2.7 tp -138.69 153.62 25.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.649 ' H ' HD12 ' A' ' 103' ' ' ILE . 38.7 t -133.65 125.55 28.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 108.373 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.3 m -135.92 146.48 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -91.19 122.6 33.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 12' ' ' PRO . 29.6 mt -46.34 -64.55 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.83 175.34 5.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.45 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 0.2 OUTLIER 63.89 137.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -154.65 131.12 10.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 8.0 mtt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.423 1.077 . . . . 0.0 110.944 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.753 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 7.0 m-85 . . . . . 0 CA--C 1.531 0.241 0 CA-C-O 120.519 0.199 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pt -79.78 -14.3 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.753 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 35.9 p90 -111.66 161.79 23.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.806 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.3 Cg_endo -75.02 117.68 4.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.27 167.94 20.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.595 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.75 139.26 23.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -106.85 100.5 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mp -113.31 109.63 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.395 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 132.66 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.451 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 3.4 mt -78.53 120.45 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mp . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.81 100.58 0.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.599 1.187 . . . . 0.0 110.993 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.443 HD11 HG12 ' A' ' 53' ' ' ILE . 13.7 tt -148.89 138.52 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 0.767 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -113.26 105.6 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.456 HG22 ' HB1' ' A' ' 51' ' ' ALA . 96.5 mt -112.11 117.98 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.225 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 32.4 t -90.1 133.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.33 173.01 20.97 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.96 42.89 94.54 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -120.99 134.71 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.05 131.91 50.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.45 HD11 ' HA3' ' A' ' 50' ' ' GLY . 22.2 mt -92.49 112.36 55.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.576 ' O ' HD11 ' A' ' 109' ' ' LEU . 18.1 Cg_endo -75.0 60.35 5.42 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.798 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.5 -42.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.428 1.08 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.41 52.63 2.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 0.0 109.552 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.27 -79.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.975 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.33 55.15 0.2 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -109.87 148.33 31.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.2 pt -82.86 156.95 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.45 ' HA3' HD11 ' A' ' 42' ' ' ILE . . . -168.17 -167.16 28.42 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.559 1.162 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.549 ' HB3' HD13 ' A' ' 82' ' ' LEU . . . -118.84 145.76 45.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 0.822 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 14.8 p90 -150.27 160.27 43.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.443 HG12 HD11 ' A' ' 34' ' ' ILE . 19.8 mt -66.14 119.24 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.58 -52.56 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 tptm -133.93 142.44 47.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.229 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mt -118.12 106.59 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.343 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mp -40.5 153.26 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.3 Cg_endo -75.06 140.35 25.19 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 37.57 50.18 1.84 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.28 -173.76 32.73 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.451 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 17.7 m -74.1 -36.73 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.27 -42.54 65.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.44 -20.64 63.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.04 -53.77 40.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.5 p -38.78 -44.71 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.08 -39.9 3.1 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -16.2 64.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.323 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.85 140.72 29.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.55 156.08 31.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.69 150.92 39.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.35 -23.92 19.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mmt -61.11 121.99 13.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -70.55 129.02 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.714 HG13 ' CD1' ' A' ' 103' ' ' ILE . 53.6 t -93.7 109.99 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.9 mt -71.42 -51.84 21.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.596 1.185 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -145.37 149.63 35.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.663 ' NE1' HG23 ' A' ' 94' ' ' ILE . 68.6 t-105 -122.56 133.18 54.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 108.019 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.856 ' OD1' HD12 ' A' ' 80' ' ' ILE . 17.1 p30 43.82 28.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 88.55 -34.45 3.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.856 HD12 ' OD1' ' A' ' 78' ' ' ASN . 13.8 mt -65.56 123.21 83.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 98.69 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.572 HD11 HG12 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -82.85 5.71 20.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.4 m -77.96 145.85 35.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t 63.83 31.39 14.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.54 -153.94 0.53 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.7 p -131.3 149.94 52.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -39.8 -43.77 1.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.18 -67.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' VAL . 3.6 mt-10 -38.88 -66.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.56 HG22 ' HB2' ' A' ' 82' ' ' LEU . 74.3 t -39.7 -63.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.2 OUTLIER -42.02 -64.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.3 t -44.08 -43.9 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.542 HD13 ' CG2' ' A' ' 80' ' ' ILE . 25.7 mt -62.38 -42.04 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.663 HG23 ' NE1' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -75.63 -67.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -60.56 83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.061 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 94' ' ' ILE . 2.5 tt0 -177.19 -47.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -57.17 172.79 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.97 149.41 17.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.04 -79.15 1.83 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.137 . . . . 0.0 111.001 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.85 149.94 42.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -140.38 145.36 36.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.48 152.29 20.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.714 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.2 tp -148.32 150.66 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.18 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.9 t -134.01 109.69 9.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.1 m -117.07 144.61 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.412 ' NH2' ' CD1' ' A' ' 11' ' ' PHE . 23.6 ttm180 -87.51 122.8 31.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.806 HD12 ' HB2' ' A' ' 12' ' ' PRO . 33.8 mt -47.77 -61.95 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -71.34 174.17 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 43' ' ' PRO . 0.3 OUTLIER 71.87 172.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 t30 174.28 119.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.705 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 4.9 m-85 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.426 0.155 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pt -78.5 -15.75 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.705 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 25.8 p90 -108.14 161.9 21.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.87 6.84 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -140.57 164.05 31.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' HB1' ' CD1' ' A' ' 16' ' ' ILE . . . -128.65 103.57 7.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -92.02 89.23 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.429 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 3.8 mp -117.53 136.09 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.917 ' HD3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -87.43 137.28 32.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.411 HD12 ' CB ' ' A' ' 62' ' ' ALA . 36.3 mm -63.9 121.17 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.917 HG23 ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.32 107.79 0.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.418 1.074 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 tt -155.03 127.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.37 106.05 16.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.402 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 62.3 mt -118.14 118.42 58.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.3 t -91.67 128.88 43.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.542 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -110.39 138.81 15.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.38 5.61 20.91 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 143.65 28.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.55 127.67 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.5 mt -71.75 116.73 51.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 60.13 5.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.504 ' HA3' HD11 ' A' ' 109' ' ' LEU . . . -168.41 -49.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.91 155.18 40.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 109.609 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 m -42.52 -40.77 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.12 85.04 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -139.65 142.23 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 85' ' ' LYS . 43.8 pt -90.02 155.84 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.26 -126.85 0.93 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.43 1.082 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -153.61 146.94 24.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.405 ' HA ' ' O ' ' A' ' 72' ' ' MET . 19.9 p90 -146.38 147.62 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.774 HD12 ' HB2' ' A' ' 72' ' ' MET . 18.1 mt -67.9 122.23 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.74 -51.27 6.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -153.75 145.78 23.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.38 1.05 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LEU . 3.6 mt -91.59 90.29 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.561 HD13 ' HD2' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -39.71 139.12 0.95 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.561 ' HD2' HD13 ' A' ' 57' ' ' LEU . 18.3 Cg_endo -74.97 98.37 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.21 -60.52 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . 123.61 3.84 8.36 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 19' ' ' THR . 7.3 m -82.78 -54.61 4.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.036 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.411 ' CB ' HD12 ' A' ' 18' ' ' ILE . . . -98.04 -24.62 15.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.45 -21.06 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -74.61 -54.52 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 64' ' ' GLN . 77.7 p -37.44 -53.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.373 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.26 -40.88 3.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.064 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -57.21 -19.34 20.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 0.78 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.426 HD11 HG21 ' A' ' 103' ' ' ILE . 2.1 mm? -82.89 131.75 35.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.389 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.2 mmt -140.9 147.94 39.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 111.033 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -64.48 152.9 40.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.98 -2.25 70.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.774 ' HB2' HD12 ' A' ' 53' ' ' ILE . 2.7 mmm -72.51 125.57 27.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -72.86 104.72 4.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.32 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.501 ' HA ' HG12 ' A' ' 105' ' ' VAL . 53.3 t -72.18 110.33 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.2 mt -77.48 -57.79 3.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 73.0 mt-10 -132.35 157.01 45.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.66 ' CE3' HG12 ' A' ' 103' ' ' ILE . 18.6 t-105 -145.91 113.78 6.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 107.96 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.579 ' O ' HD12 ' A' ' 80' ' ' ILE . 2.2 m120 61.19 33.27 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.76 -47.44 3.21 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.436 1.085 . . . . 0.0 111.064 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.669 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.0 mp -66.09 121.81 78.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -75.02 156.02 42.87 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.596 HD13 HG13 ' A' ' 90' ' ' VAL . 38.5 mt -116.23 35.62 4.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -109.04 138.36 45.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 t 69.65 32.98 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.464 ' O ' HD12 ' A' ' 49' ' ' ILE . 8.0 mmtt -123.93 -158.64 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.1 p -143.25 162.55 35.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.461 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -38.85 -60.54 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.5 mt-10 -50.81 -71.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.228 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -38.79 -66.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.596 HG13 HD13 ' A' ' 82' ' ' LEU . 71.9 t -40.72 -61.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -41.5 -63.93 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -41.49 -51.78 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.524 HD13 HG22 ' A' ' 80' ' ' ILE . 36.0 mt -52.84 -40.66 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.6 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -78.63 -63.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.5 OUTLIER -65.04 92.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 175.79 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -52.49 176.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -149.32 151.06 33.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.025 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.73 -176.91 0.97 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -39.42 135.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 0.721 . . . . 0.0 110.292 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -134.61 179.78 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.99 155.82 17.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.66 HG12 ' CE3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -140.22 154.22 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.0 t -150.34 98.51 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 108.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' A' ' 74' ' ' VAL . 18.9 m -121.51 161.11 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 108' ' ' ASP . 47.1 ttt85 -90.21 132.62 35.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.37 -61.5 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.425 ' O ' ' CD ' ' A' ' 106' ' ' ARG . 9.0 t70 -80.86 161.11 24.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.504 HD11 ' HA3' ' A' ' 44' ' ' GLY . 1.7 tt 70.55 127.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.503 ' N ' HD23 ' A' ' 109' ' ' LEU . 15.9 p30 -139.22 143.13 37.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.744 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 29.5 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.465 0.174 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pt -84.66 -9.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.744 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 17.6 p90 -111.65 161.73 24.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 120.98 6.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.57 163.27 29.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.77 103.01 6.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.34 95.56 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 67' ' ' LYS . 47.0 mt -129.42 138.49 54.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.91 175.91 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.904 HD11 HG21 ' A' ' 103' ' ' ILE . 11.6 mt -130.94 124.68 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.345 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.773 ' HA2' HD12 ' A' ' 57' ' ' LEU . . . 96.66 58.12 1.07 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.593 HD12 ' HB2' ' A' ' 62' ' ' ALA . 18.3 tt -145.11 135.72 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -112.05 114.89 28.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.1 mt -121.01 130.56 74.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.2 t -116.58 132.47 66.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.222 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.86 -178.43 34.91 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.456 1.097 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.31 50.65 51.54 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.484 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -121.49 132.89 54.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 0.712 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.41 127.23 30.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.585 HG23 ' HD2' ' A' ' 43' ' ' PRO . 15.5 mt -86.36 140.7 34.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.585 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.0 -46.8 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.428 1.752 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.43 -69.24 1.33 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -43.9 164.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 0.736 . . . . 0.0 109.526 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -75.64 -43.7 46.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.55 83.96 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -152.76 149.95 28.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 5.3 pt -98.96 158.04 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.76 -159.27 9.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.691 ' HB3' HD13 ' A' ' 82' ' ' LEU . . . -121.63 141.74 50.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 8.0 p90 -150.82 162.12 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.736 HD12 ' HB2' ' A' ' 72' ' ' MET . 26.3 mt -76.15 108.59 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.07 -55.47 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 14.6 tptt -155.53 132.65 10.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.437 1.085 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.561 HG12 HG21 ' A' ' 53' ' ' ILE . 4.1 mt -84.21 112.95 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.773 HD12 ' HA2' ' A' ' 33' ' ' GLY . 8.2 mt -42.02 163.09 0.13 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 99.42 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.54 36.44 68.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.96 -155.13 1.62 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.484 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 18.8 m -79.71 -50.44 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.768 ' HA ' HD13 ' A' ' 68' ' ' LEU . . . -55.49 -44.4 76.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.28 -30.66 70.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.44 -57.97 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 77.2 p -42.01 -50.37 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.398 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.3 20.07 21.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -126.73 -44.04 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.768 HD13 ' HA ' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -61.43 138.28 58.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.39 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.08 175.05 9.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.33 166.38 22.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 42.05 45.47 4.98 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.736 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.4 mmm -102.45 114.85 29.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -59.73 108.87 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.584 1.177 . . . . 0.0 110.323 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.637 HG13 HD11 ' A' ' 103' ' ' ILE . 89.6 t -83.57 109.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mt -74.56 -58.21 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -136.03 150.18 49.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.373 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.667 ' HE3' HD13 ' A' ' 103' ' ' ILE . 14.2 t-105 -130.02 125.01 34.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.595 ' O ' HD12 ' A' ' 80' ' ' ILE . 17.3 m-20 53.79 30.47 11.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.226 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.76 -38.68 3.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.595 HD12 ' O ' ' A' ' 78' ' ' ASN . 4.8 mp -69.63 125.39 91.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.99 140.08 25.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.74 ' H ' HD12 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -123.89 21.87 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.8 m -87.51 144.57 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.0 t 60.79 29.64 19.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.056 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.53 ' HB2' HG23 ' A' ' 90' ' ' VAL . 3.4 mttm -111.93 -172.31 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 p -115.24 154.14 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -37.46 -62.08 0.55 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -48.63 -66.44 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' VAL . 27.1 mt-10 -38.39 -72.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.607 HG22 ' HB2' ' A' ' 82' ' ' LEU . 55.7 t -39.91 -61.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.27 -64.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.58 -51.66 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.498 HD13 HG22 ' A' ' 80' ' ' ILE . 34.3 mt -53.95 -41.35 49.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.611 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -76.77 -63.47 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.578 1.174 . . . . 0.0 109.361 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -49.37 171.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' SER . 2.3 mt-30 74.24 -58.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -61.3 81.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 96' ' ' GLN . 49.7 m -78.96 166.46 22.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.919 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.75 -168.17 53.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -52.03 170.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 0.773 . . . . 0.0 110.348 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.02 156.84 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.362 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -95.02 150.63 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.904 HG21 HD11 ' A' ' 18' ' ' ILE . 3.5 tp -139.42 150.77 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.419 ' H ' HD12 ' A' ' 103' ' ' ILE . 28.1 m -134.85 102.75 5.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 108.309 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.441 HG12 HG22 ' A' ' 74' ' ' VAL . 30.0 m -121.15 151.04 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -83.39 132.07 35.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.6 -58.67 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 2.6 m-20 -81.23 152.48 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.2 OUTLIER 87.36 137.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -146.38 146.76 30.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 8.1 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.477 0.18 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -18.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 18.9 p90 -106.18 161.79 21.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.571 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.4 Cg_endo -74.93 122.46 7.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.01 174.15 10.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.39 131.58 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -95.35 88.75 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 17' ' ' LYS . 2.0 mp -92.43 162.36 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.584 ' O ' HD13 ' A' ' 18' ' ' ILE . 13.0 pttp -112.55 177.95 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 17' ' ' LYS . 14.1 mm -139.0 118.48 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.63 73.98 0.76 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.957 HD12 ' HB2' ' A' ' 62' ' ' ALA . 7.1 tt -139.03 131.55 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -112.85 104.79 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' A' ' 94' ' ' ILE . 22.3 mt -117.44 137.0 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 1.083 HG21 ' CE1' ' A' ' 52' ' ' TYR . 16.1 m -108.8 -170.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.366 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.681 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -168.94 165.15 38.7 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.32 10.71 43.44 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -85.16 132.63 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.12 137.69 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.587 HG23 ' HD2' ' A' ' 43' ' ' PRO . 35.2 mt -89.48 140.78 28.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.93 80.87 2.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.58 1.831 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.82 82.33 1.63 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -161.95 47.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 0.784 . . . . 0.0 109.604 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.96 40.76 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.12 68.58 1.61 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -127.63 139.27 52.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 0.76 . . . . 0.0 110.23 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 85' ' ' LYS . 12.8 pt -87.24 139.15 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.18 -164.64 10.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -121.61 137.48 54.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.347 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 1.083 ' CE1' HG21 ' A' ' 37' ' ' VAL . 2.9 p90 -143.98 141.41 30.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.459 HG13 ' CG2' ' A' ' 74' ' ' VAL . 28.5 mt -64.31 107.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.639 ' HB2' HG13 ' A' ' 37' ' ' VAL . . . -55.71 -56.49 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -157.36 148.49 21.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mt -101.91 114.82 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.68 148.52 0.54 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 106.78 2.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.4 58.08 13.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.04 -154.54 11.66 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -78.68 -39.57 36.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.033 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.957 ' HB2' HD12 ' A' ' 34' ' ' ILE . . . -66.93 -44.48 80.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -73.04 -22.25 60.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -48.54 81.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.541 HG21 HD13 ' A' ' 18' ' ' ILE . 66.9 p -47.63 -49.42 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.67 -47.39 1.08 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.429 1.081 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -58.75 7.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 0.817 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.527 HD11 HD13 ' A' ' 103' ' ' ILE . 4.0 mm? -41.31 131.95 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 mmt -137.82 159.52 41.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.07 156.04 40.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 111' ' ' MET . . . 62.52 32.6 83.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.424 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.7 mmm -105.89 121.1 43.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -70.12 113.74 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.459 ' CG2' HG13 ' A' ' 53' ' ' ILE . 12.8 t -82.35 110.26 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mt -65.23 -59.13 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -138.41 161.3 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.636 ' CE2' HG23 ' A' ' 94' ' ' ILE . 37.4 t-105 -137.78 110.97 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 108.045 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.495 ' O ' HD12 ' A' ' 80' ' ' ILE . 1.7 m-20 68.24 29.49 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.2 -44.26 2.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.623 ' H ' HD12 ' A' ' 80' ' ' ILE . 3.8 mp -59.09 127.4 83.79 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.94 142.91 28.64 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 1.064 HD22 HG13 ' A' ' 90' ' ' VAL . 66.1 mt -105.99 -34.62 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.22 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 84' ' ' SER . 19.7 m -54.28 129.57 35.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 83' ' ' THR . 1.2 t 84.98 31.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.512 ' O ' HD12 ' A' ' 49' ' ' ILE . 3.3 mmtt -130.57 -177.37 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.1 p -110.1 142.54 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.348 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE2' ' HB ' ' A' ' 37' ' ' VAL . 28.3 t80 -38.09 -36.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.92 -66.69 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 90' ' ' VAL . 37.6 mt-10 -41.84 -58.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.064 HG13 HD22 ' A' ' 82' ' ' LEU . 73.1 t -39.89 -61.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -37.75 -63.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.94 -55.12 2.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.612 HD13 HG22 ' A' ' 80' ' ' ILE . 25.8 mt -50.69 -42.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.636 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -74.5 -57.27 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -68.49 63.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.983 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -179.41 77.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.347 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -139.66 163.17 33.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.08 68.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.94 109.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.442 1.089 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 5.5 tt0 74.73 149.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.332 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -154.43 162.33 41.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.246 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.69 134.94 48.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.527 HD13 HD11 ' A' ' 68' ' ' LEU . 9.0 tt -120.21 152.59 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.1 t -136.06 110.88 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 108.343 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.47 179.9 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.256 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.539 ' HD2' HD23 ' A' ' 109' ' ' LEU . 34.8 ttm180 -119.87 115.16 23.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 12' ' ' PRO . 10.4 mt -45.3 -66.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -74.09 88.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.731 HD13 ' H ' ' A' ' 110' ' ' ASN . 0.2 OUTLIER -176.95 147.72 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.731 ' H ' HD13 ' A' ' 109' ' ' LEU . 25.0 t30 -154.81 130.99 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.439 ' CE ' ' HB3' ' A' ' 52' ' ' TYR . 1.2 mtt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.797 ' CD1' ' CZ ' ' A' ' 11' ' ' PHE . 26.9 m-85 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.454 0.169 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 pt -77.54 -20.26 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.797 ' CZ ' ' CD1' ' A' ' 9' ' ' TYR . 17.3 p90 -101.29 161.48 23.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.07 5.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.409 ' ND1' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -129.2 165.59 21.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 109.641 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.91 104.23 7.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 94.68 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.492 HD11 ' HD3' ' A' ' 67' ' ' LYS . 1.8 mp -109.48 162.61 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.475 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -108.98 171.14 7.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.5 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 4.9 mm -124.12 116.94 49.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.366 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.1 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.448 ' CA ' ' HB2' ' A' ' 57' ' ' LEU . . . 109.32 79.29 1.1 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.9 tt -154.89 134.84 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -119.29 106.12 12.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.5 mt -110.08 121.41 62.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.508 HG22 ' CE2' ' A' ' 87' ' ' TYR . 2.9 t -100.12 127.17 53.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.99 -165.54 35.53 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.406 ' HA2' HD12 ' A' ' 49' ' ' ILE . . . 40.91 47.32 4.1 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 14.3 tptt -121.58 136.04 54.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.43 147.82 30.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.4 mt -111.12 119.86 44.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 70.7 5.28 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.55 44.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.574 1.171 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -160.0 156.51 27.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.635 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 77.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.52 66.66 1.66 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.06 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.95 144.17 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.406 HD12 ' HA2' ' A' ' 39' ' ' GLY . 5.0 pt -101.15 159.62 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.44 -167.27 19.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.652 ' HB3' HD13 ' A' ' 82' ' ' LEU . . . -120.12 137.77 53.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -141.45 161.66 37.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -69.45 103.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.57 -57.35 4.05 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -140.69 145.07 36.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mt -110.43 106.23 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.448 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 2.9 mm? -40.4 150.87 0.26 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.46 36.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 40.67 29.73 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.42 -172.89 49.38 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 25.9 m -78.28 -54.8 5.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.995 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.414 ' O ' ' OG1' ' A' ' 65' ' ' THR . . . -57.16 -23.9 50.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -80.67 -17.97 49.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.246 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 65' ' ' THR . 1.9 pt20 -81.41 -44.98 16.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 64' ' ' GLN . 19.4 p -38.77 -40.0 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 110.364 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.23 -41.12 3.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.492 ' HD3' HD11 ' A' ' 16' ' ' ILE . 3.4 mttt -66.49 -64.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 0.782 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' CD1' HD13 ' A' ' 103' ' ' ILE . 3.0 mm? -41.02 126.53 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.0 mmm -138.08 141.52 40.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.35 143.42 18.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.73 -29.17 8.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.145 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.4 mmm -52.88 139.59 26.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 0.789 . . . . 0.0 111.053 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.628 ' OE1' HD13 ' A' ' 109' ' ' LEU . 41.8 tt0 -86.42 127.09 34.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -100.27 109.66 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 106' ' ' ARG . 2.2 mt -70.03 -53.94 15.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -135.72 167.06 21.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.724 ' CE2' HG23 ' A' ' 94' ' ' ILE . 11.2 t-105 -145.6 124.0 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.719 ' O ' HD12 ' A' ' 80' ' ' ILE . 3.4 m-20 54.8 33.26 19.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.29 -43.02 3.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 78' ' ' ASN . 5.1 mp -67.78 123.33 86.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.412 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 18.3 Cg_endo -74.98 142.5 27.99 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.73 ' H ' HD12 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -124.08 19.73 9.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.1 m -87.73 142.83 27.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.27 30.15 15.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.555 ' HB2' HG23 ' A' ' 90' ' ' VAL . 2.7 mmtt -112.94 -160.68 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 p -123.71 150.81 43.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.508 ' CE2' HG22 ' A' ' 37' ' ' VAL . 5.9 t80 -39.46 -53.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -64.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' VAL . 48.0 mt-10 -41.92 -67.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 110.342 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.615 HG22 ' HB2' ' A' ' 82' ' ' LEU . 37.8 t -39.91 -58.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.379 1.049 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -46.68 -59.11 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -43.43 -42.93 4.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.706 HD13 HG22 ' A' ' 80' ' ' ILE . 30.0 mt -64.12 -40.83 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.724 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -77.77 -68.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.524 ' O ' ' C ' ' A' ' 96' ' ' GLN . 10.4 t 38.84 62.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.524 ' C ' ' O ' ' A' ' 95' ' ' SER . 1.5 pt20 28.48 63.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -40.37 115.56 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.265 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.2 143.08 19.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.54 -162.13 25.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 3.3 tt0 -54.82 148.97 12.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -148.62 119.02 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.33 135.87 39.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.52 ' HB ' ' CZ3' ' A' ' 77' ' ' TRP . 2.3 tt -121.73 137.7 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 81.4 m -116.49 106.65 13.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 108.274 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.496 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -122.34 163.23 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.504 ' HB2' HD11 ' A' ' 75' ' ' LEU . 67.6 ttt180 -98.04 149.16 22.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.4 mt -78.37 -69.91 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -66.39 -176.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.628 HD13 ' OE1' ' A' ' 73' ' ' GLN . 4.7 tt 71.35 -79.54 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 0.0 109.211 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' MET . 37.6 t-20 43.75 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.5 mtt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.74 ' CD1' ' CZ ' ' A' ' 11' ' ' PHE . 2.2 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.557 0.218 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 pt -56.83 -27.17 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.74 ' CZ ' ' CD1' ' A' ' 9' ' ' TYR . 4.5 p90 -111.31 160.94 27.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.613 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.4 Cg_endo -75.01 119.63 5.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.47 169.47 17.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.628 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.62 135.69 30.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -107.92 91.44 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.59 HD11 ' HD3' ' A' ' 67' ' ' LYS . 2.4 mp -103.47 156.1 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -104.4 162.86 12.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' GLU . 7.7 mt -129.28 123.16 57.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.443 HG22 ' HG2' ' A' ' 100' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.759 HD11 ' O ' ' A' ' 99' ' ' GLY . 2.3 mm? . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.84 41.51 0.37 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 tt -135.96 131.13 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.408 0.71 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.566 ' HG3' HD13 ' A' ' 57' ' ' LEU . 4.6 mtt180 -101.44 105.24 16.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.513 ' HB ' HG21 ' A' ' 94' ' ' ILE . 67.5 mt -108.4 120.25 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.986 HG21 ' CE1' ' A' ' 52' ' ' TYR . 4.5 m -73.93 -156.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.673 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . 170.7 155.88 10.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.89 4.86 56.22 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.53 131.97 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -41.23 151.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.573 1.171 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.501 HD11 ' HA3' ' A' ' 50' ' ' GLY . 42.6 mt -113.09 140.28 24.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 137.76 22.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.46 -53.49 3.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.41 ' ND1' HG22 ' A' ' 42' ' ' ILE . 45.2 m80 -40.15 144.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.61 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -75.9 92.68 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.48 76.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -143.85 148.78 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' ' 83' ' ' THR . 15.4 pt -106.5 144.66 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.065 . . . . 0.0 109.24 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.501 ' HA3' HD11 ' A' ' 42' ' ' ILE . . . -149.96 -157.49 7.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -129.85 137.32 50.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.986 ' CE1' HG21 ' A' ' 37' ' ' VAL . 14.2 p90 -132.28 142.81 49.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.839 HD12 ' HB2' ' A' ' 72' ' ' MET . 65.3 mt -55.03 109.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.695 ' HB2' HG13 ' A' ' 37' ' ' VAL . . . -71.17 -55.92 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 15.4 tptt -164.77 129.43 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.431 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 3.6 mt -76.09 81.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.566 HD13 ' HG3' ' A' ' 35' ' ' ARG . 1.4 mp -40.18 152.81 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.06 -57.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . 113.86 3.94 23.1 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.72 -54.44 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.965 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.33 -29.48 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -66.14 -18.56 65.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.218 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 65' ' ' THR . 1.1 mt-30 -80.1 -54.23 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 65' ' ' THR . 80.1 p -37.07 -48.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.52 -39.92 3.09 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.59 ' HD3' HD11 ' A' ' 16' ' ' ILE . 3.8 tttp -59.75 -19.04 47.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.224 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.628 HD11 HG21 ' A' ' 103' ' ' ILE . 1.2 mm? -90.86 121.96 33.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.375 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.8 mtp -138.52 136.27 35.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -46.68 157.42 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.09 -5.13 67.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.839 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.9 mmm -81.86 127.44 33.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 0.716 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.689 ' HB3' HD13 ' A' ' 109' ' ' LEU . 23.2 tt0 -79.2 109.3 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 51' ' ' ALA . 3.5 t -71.45 120.79 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.7 mt -77.22 -54.08 6.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -143.0 157.95 44.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.383 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.729 ' CZ3' HD12 ' A' ' 103' ' ' ILE . 69.2 t-105 -133.95 134.02 42.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.06 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.926 ' OD1' HD12 ' A' ' 80' ' ' ILE . 17.9 p30 43.62 28.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 89.24 -34.8 3.85 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.926 HD12 ' OD1' ' A' ' 78' ' ' ASN . 8.5 mt -68.73 127.15 93.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.06 37.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.576 HD22 HG13 ' A' ' 90' ' ' VAL . 13.6 mt -110.96 -25.14 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 49' ' ' ILE . 46.1 m -62.69 144.83 55.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.367 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.2 t 70.37 29.72 3.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.413 ' O ' HD12 ' A' ' 49' ' ' ILE . 4.4 mmmt -131.12 -174.31 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.1 p -115.48 144.14 44.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.472 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.59 ' CE2' ' HB ' ' A' ' 37' ' ' VAL . 42.5 t80 -37.49 -54.77 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.45 -56.95 12.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.24 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.436 ' N ' ' CD ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -52.67 -58.97 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.225 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.7 HG11 ' O ' ' A' ' 37' ' ' VAL . 92.4 t -47.73 -52.03 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.185 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.48 -43.84 8.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -34.4 76.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.072 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.687 HD13 HG22 ' A' ' 80' ' ' ILE . 66.6 mt -68.24 -33.96 63.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.81 ' N ' HD13 ' A' ' 94' ' ' ILE . 0.4 OUTLIER -85.01 -56.29 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.35 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.22 57.03 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.059 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -178.28 81.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -136.14 -179.98 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -127.27 59.12 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.953 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.759 ' O ' HD11 ' A' ' 32' ' ' LEU . . . 98.01 -105.93 3.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.13 . . . . 0.0 111.048 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.443 ' HG2' HG22 ' A' ' 19' ' ' THR . 0.0 OUTLIER -60.47 -176.05 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 0.742 . . . . 0.0 110.29 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.91 151.27 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -111.89 138.85 47.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.729 HD12 ' CZ3' ' A' ' 77' ' ' TRP . 2.6 tt -124.76 150.77 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 77.2 m -134.61 88.88 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 108.286 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 m -103.43 156.37 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.655 ' HD3' HD12 ' A' ' 109' ' ' LEU . 45.6 ttt180 -99.53 133.25 44.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.613 HD12 ' HB2' ' A' ' 12' ' ' PRO . 19.2 mt -57.79 -69.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -68.99 103.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.689 HD13 ' HB3' ' A' ' 73' ' ' GLN . 2.0 mt 168.16 158.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -174.97 107.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 111.042 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.615 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 9.9 m-85 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.572 0.225 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.642 HD12 ' N ' ' A' ' 11' ' ' PHE . 2.3 pp -57.46 -44.27 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.642 ' N ' HD12 ' A' ' 10' ' ' ILE . 27.4 p90 -77.29 161.4 72.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.8 5.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.575 1.829 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.22 163.21 29.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.644 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.24 115.93 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 10.3 mtp-105 -104.21 85.83 2.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 16' ' ' ILE . 4.9 mp -124.19 123.88 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.508 ' HD3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -82.08 134.65 35.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.24 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.541 HG21 ' OG ' ' A' ' 61' ' ' SER . 4.4 mt -73.59 118.02 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.508 HG23 ' HD3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.9 70.25 0.59 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.04 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 62' ' ' ALA . 8.9 tt -146.39 131.25 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.583 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 6.3 mmm180 -110.58 131.04 55.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.358 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -139.18 134.71 41.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.5 t -118.89 120.35 63.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.213 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.36 -179.61 46.69 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.67 49.54 77.43 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -128.27 130.09 47.36 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -58.14 139.33 55.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 9.4 mt -92.75 133.87 28.57 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.92 69.79 5.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 111.071 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.51 -73.41 0.15 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -39.88 150.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 0.739 . . . . 0.0 109.593 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 m -71.22 98.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.18 75.2 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -139.88 145.55 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.795 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 85' ' ' LYS . 4.4 pt -100.5 151.4 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.12 -156.63 7.47 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.29 153.3 41.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -155.43 160.84 40.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.737 HD13 ' CD1' ' A' ' 68' ' ' LEU . 5.7 mt -77.14 112.28 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.583 ' HB3' ' HB3' ' A' ' 35' ' ' ARG . . . -56.14 -53.65 54.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 6.0 tptm -170.98 125.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.628 HD11 ' CD1' ' A' ' 68' ' ' LEU . 3.4 mt -60.27 109.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -39.78 153.45 0.19 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.97 102.16 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.7 34.62 89.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.79 -147.42 18.91 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.541 ' OG ' HG21 ' A' ' 18' ' ' ILE . 40.9 p -81.02 -44.63 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.98 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.506 ' HB2' HD12 ' A' ' 34' ' ' ILE . . . -58.27 -43.24 87.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.71 -29.29 63.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -61.37 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.2 p -51.37 -33.07 28.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.32 27.13 39.08 Favored Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.28 -4.74 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 0.807 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.737 ' CD1' HD13 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -123.94 162.87 22.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.459 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.8 ptt? -139.58 -179.63 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.08 163.28 26.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 111' ' ' MET . . . 57.78 21.28 43.3 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.569 1.168 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.645 ' HB2' HD12 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -84.82 95.26 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 111.031 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.513 ' OE1' HD22 ' A' ' 109' ' ' LEU . 13.5 tt0 -42.38 110.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.9 t -81.27 110.2 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 104' ' ' CYS . 5.9 mt -71.24 -56.62 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -138.75 152.12 47.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.624 ' CE2' HG23 ' A' ' 94' ' ' ILE . 34.4 t-105 -132.53 109.5 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 108.034 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 61.67 30.25 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.2 -49.46 1.71 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.602 1.189 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.617 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.2 mp -60.38 125.99 83.32 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.518 ' O ' HD23 ' A' ' 82' ' ' LEU . 18.3 Cg_endo -74.99 154.31 42.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 81' ' ' PRO . 41.3 mt -122.26 35.35 4.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.4 m -107.55 140.97 39.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.411 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.0 t 61.98 39.69 13.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.049 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.735 ' O ' HD12 ' A' ' 49' ' ' ILE . 5.4 mmtm -125.67 -169.98 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.542 ' O ' HG23 ' A' ' 90' ' ' VAL . 22.3 p -128.87 165.46 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.378 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -43.9 -66.73 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLU . 1.3 mt-10 -44.8 -69.18 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 90' ' ' VAL . 11.2 mt-10 -38.14 -72.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.229 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 86' ' ' THR . 61.1 t -40.04 -60.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 95' ' ' SER . 1.1 tt0 -40.8 -63.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.84 -53.6 2.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.486 HD13 ' CG2' ' A' ' 80' ' ' ILE . 35.6 mt -51.45 -43.78 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.624 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -74.63 -60.26 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -38.1 -43.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.26 110.58 15.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.99 179.96 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 m -173.08 118.71 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . 68.68 111.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.419 1.074 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 99' ' ' GLY . 17.9 pm0 44.39 -171.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.01 143.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.27 133.08 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.261 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.507 HG12 HG13 ' A' ' 105' ' ' VAL . 9.7 tt -133.0 123.32 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 75' ' ' LEU . 6.6 m -109.36 107.61 17.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.507 HG13 HG12 ' A' ' 103' ' ' ILE . 21.1 m -114.54 172.95 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.474 ' CZ ' HD12 ' A' ' 109' ' ' LEU . 2.4 ttt180 -115.4 117.66 31.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.5 mt -53.2 -58.13 8.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -53.63 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.513 HD22 ' OE1' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -43.93 132.19 5.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -151.48 89.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLY . 5.1 mtt . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.756 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.522 0.201 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.58 -16.86 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.756 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 10.8 p90 -109.39 162.6 19.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 120.47 6.09 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -137.21 173.5 11.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.625 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.25 135.87 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.41 ' NH1' ' OE2' ' A' ' 102' ' ' GLU . 5.9 mtp-105 -109.04 87.77 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mm -98.74 131.47 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.95 159.78 16.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.384 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.577 HG23 ' HB3' ' A' ' 61' ' ' SER . 5.3 mt -128.52 120.97 54.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.586 1.179 . . . . 0.0 109.373 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.435 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.17 81.61 0.1 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.492 1.12 . . . . 0.0 110.934 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.1 tt -154.18 129.13 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 115.35 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 52' ' ' TYR . 88.9 mt -117.75 138.67 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.427 HG22 ' CE2' ' A' ' 87' ' ' TYR . 35.1 t -118.16 118.71 59.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.97 -163.8 39.28 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.442 1.089 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.13 51.21 2.77 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -124.48 129.59 50.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.71 134.47 51.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.2 mt -98.04 128.69 32.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.87 11.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.792 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.51 -34.8 4.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.55 142.47 30.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.559 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.2 -38.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.98 80.18 0.04 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -129.52 140.32 51.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 0.806 . . . . 0.0 110.251 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 85' ' ' LYS . 9.2 pt -91.36 149.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.16 -155.42 7.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.944 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.27 146.89 47.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.557 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 28.5 p90 -146.92 162.66 38.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.826 HD13 HD23 ' A' ' 68' ' ' LEU . 8.3 mt -78.04 102.97 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.68 -57.84 9.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.255 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -157.13 137.68 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.39 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.008 HD11 ' CD2' ' A' ' 68' ' ' LEU . 79.2 mt -92.16 130.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.91 150.11 30.22 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 129.95 12.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.1 40.38 95.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.63 172.6 20.33 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.89 ' O ' HG23 ' A' ' 65' ' ' THR . 0.4 OUTLIER -69.84 -35.31 74.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 0.8 . . . . 0.0 109.964 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -62.24 -38.03 87.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.98 -30.72 44.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -63.97 -44.39 92.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.355 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 61' ' ' SER . 64.6 p -39.75 -36.95 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.52 25.54 63.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.75 -43.87 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.008 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -67.61 164.72 18.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.996 ' N ' HD22 ' A' ' 68' ' ' LEU . 11.9 mtt -152.56 118.1 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -40.82 149.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.54 11.96 84.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.45 108.14 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.513 ' OE1' HD22 ' A' ' 109' ' ' LEU . 44.1 tt0 -50.2 121.15 5.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.587 ' CG2' HD11 ' A' ' 103' ' ' ILE . 99.5 t -85.12 109.63 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 104' ' ' CYS . 2.7 mt -70.69 -55.62 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -137.08 164.77 27.63 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.48 1.112 . . . . 0.0 110.348 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.569 ' CZ2' ' HB1' ' A' ' 101' ' ' ALA . 6.9 t-105 -145.27 109.11 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 58.3 32.88 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.37 -56.05 1.06 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.663 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.0 mp -57.54 124.12 65.95 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.434 0.726 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 149.62 36.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.744 HD22 HG13 ' A' ' 90' ' ' VAL . 40.9 mt -111.84 31.7 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.7 m -110.59 140.14 45.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p 69.15 30.77 4.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.477 ' O ' HD12 ' A' ' 49' ' ' ILE . 3.6 mmtm -122.94 -176.95 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 90' ' ' VAL . 71.8 p -121.77 156.91 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.427 ' CE2' HG22 ' A' ' 37' ' ' VAL . 11.1 t80 -37.66 -61.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLU . 5.5 mt-10 -49.56 -69.32 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' GLU . 48.7 mt-10 -38.84 -64.01 0.48 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.433 1.083 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.744 HG13 HD22 ' A' ' 82' ' ' LEU . 62.7 t -46.57 -58.25 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 95' ' ' SER . 4.3 tt0 -41.89 -41.0 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -41.26 93.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.979 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 80' ' ' ILE . 62.5 mt -63.44 -35.96 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.581 HD11 HG12 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -81.54 -59.96 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 91' ' ' GLN . 4.6 t -39.64 153.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 77.41 -170.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 71.73 63.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.229 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.8 p -81.65 74.23 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.052 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 100' ' ' GLU . . . 176.5 41.7 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.519 1.137 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 0.1 OUTLIER 89.34 168.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.254 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.569 ' HB1' ' CZ2' ' A' ' 77' ' ' TRP . . . -160.72 161.24 32.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' OE2' ' NH1' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -121.75 139.63 53.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.587 HD11 ' CG2' ' A' ' 74' ' ' VAL . 11.2 tt -128.52 130.9 69.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' LEU . 43.6 m -113.98 103.98 11.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 108.28 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.5 m -109.01 179.79 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.448 ' NH2' ' CE2' ' A' ' 11' ' ' PHE . 22.6 ttm180 -120.53 109.2 14.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 107' ' ' LEU . 2.1 mt -47.67 -60.68 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.58 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.513 HD22 ' OE1' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -57.57 172.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 110' ' ' ASN . 1.1 p30 -179.54 38.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 110' ' ' ASN . 6.1 mmt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.703 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 17.4 m-85 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.497 0.189 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.9 pt -74.66 -27.75 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.703 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 8.2 p90 -91.69 161.63 33.5 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.457 1.098 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.682 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.2 Cg_endo -75.01 121.55 6.64 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.4 171.59 14.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.473 ' O ' HD12 ' A' ' 16' ' ' ILE . . . -162.61 110.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -85.86 123.63 31.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 14' ' ' ALA . 4.1 mp -120.18 157.48 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.38 135.27 51.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.694 HD11 HG21 ' A' ' 103' ' ' ILE . 5.8 mm -88.19 114.82 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.403 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' CA ' ' HG ' ' A' ' 57' ' ' LEU . . . -140.41 90.59 0.19 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.694 HD12 ' CB ' ' A' ' 62' ' ' ALA . 5.5 tt -154.2 132.41 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.471 0.748 . . . . 0.0 109.352 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -108.47 106.9 17.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.498 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 45.2 mt -113.32 130.01 68.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 55.7 t -105.91 114.15 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.535 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -88.27 -172.37 46.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.38 25.21 8.13 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -99.6 134.66 42.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.738 ' HG2' ' HE2' ' A' ' 45' ' ' HIS . 9.3 tt0 -57.23 125.65 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.711 HG23 ' HD2' ' A' ' 43' ' ' PRO . 43.3 mt -73.05 141.9 81.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.711 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.06 59.12 5.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.23 93.83 0.73 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.738 ' HE2' ' HG2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -160.14 -179.51 7.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 109.633 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.23 54.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.32 72.09 1.05 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.155 . . . . 0.0 110.954 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.836 ' O ' HG23 ' A' ' 49' ' ' ILE . 2.8 tp10 -139.37 -152.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 110.235 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.836 HG23 ' O ' ' A' ' 48' ' ' GLU . 1.6 pt -171.71 135.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.39 -171.44 12.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.498 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -118.4 154.12 32.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 0.721 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE1' ' HB ' ' A' ' 37' ' ' VAL . 19.3 p90 -146.15 155.03 42.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.887 HD13 HD23 ' A' ' 68' ' ' LEU . 4.7 mt -72.34 95.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.078 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.46 -59.53 4.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 9.5 tptm -156.36 127.69 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.039 HD11 ' CD2' ' A' ' 68' ' ' LEU . 13.6 mt -80.12 135.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' HG ' ' CA ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -53.73 157.16 4.11 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 112.97 3.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.417 1.746 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.98 50.67 63.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.81 -163.21 26.93 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 65' ' ' THR . 50.5 m -74.84 -48.85 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.963 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.694 ' CB ' HD12 ' A' ' 34' ' ' ILE . . . -59.08 -30.45 68.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -79.76 -29.58 40.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' THR . 1.9 mt-30 -64.63 -45.54 86.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 61' ' ' SER . 68.8 p -38.01 -53.6 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.04 16.44 80.68 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.22 -41.35 2.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 0.789 . . . . 0.0 109.293 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 1.039 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -63.93 167.32 6.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.997 ' N ' HD22 ' A' ' 68' ' ' LEU . 44.6 mtt -157.18 126.01 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 111.065 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -46.76 149.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.25 2.25 90.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.04 113.32 20.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.494 ' OE1' HD22 ' A' ' 109' ' ' LEU . 15.9 tt0 -59.77 106.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.9 t -72.48 109.58 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.475 HD12 ' SG ' ' A' ' 104' ' ' CYS . 16.6 mt -65.97 -59.27 3.99 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 1.4 mp0 -138.41 164.83 28.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.745 ' CG ' HG22 ' A' ' 94' ' ' ILE . 5.1 t-105 -143.56 114.57 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.021 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 64.08 29.5 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.89 -49.85 1.76 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 80' ' ' ILE . 3.6 mp -62.03 122.57 73.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.747 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 18.5 Cg_endo -75.0 143.78 29.46 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.452 1.764 . . . . 0.0 111.043 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.565 HD22 HG13 ' A' ' 90' ' ' VAL . 18.3 mt -105.29 26.72 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.9 m -99.18 132.75 44.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.441 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t 69.85 30.52 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.013 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -113.04 -174.45 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' TYR . 48.3 p -119.5 152.13 37.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' THR . 11.9 t80 -37.24 -57.29 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -52.89 -67.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 90' ' ' VAL . 67.0 mt-10 -38.84 -70.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.565 HG13 HD22 ' A' ' 82' ' ' LEU . 46.4 t -38.81 -59.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.588 ' HA ' HD11 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -52.6 -46.26 66.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -37.49 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.81 -60.19 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.745 HG22 ' CG ' ' A' ' 77' ' ' TRP . 1.3 pt -57.01 -43.46 81.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 91' ' ' GLN . 71.8 m -69.04 -176.93 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.954 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 41.13 91.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.235 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -151.58 140.07 20.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -46.92 -60.82 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.028 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.72 -133.14 1.48 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.432 1.083 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -38.98 145.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.82 154.99 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.32 132.84 43.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.694 HG21 HD11 ' A' ' 18' ' ' ILE . 9.7 tt -124.38 131.0 73.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.475 ' SG ' HD12 ' A' ' 75' ' ' LEU . 15.6 t -106.02 112.99 26.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.265 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 m -111.29 158.91 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 107' ' ' LEU . 42.7 ttt180 -109.81 111.12 22.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.682 HD12 ' HB2' ' A' ' 12' ' ' PRO . 10.6 mt -39.97 -59.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 1.6 t0 -82.37 156.36 24.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.494 HD22 ' OE1' ' A' ' 73' ' ' GLN . 0.3 OUTLIER 87.33 119.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -139.05 136.96 35.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 111.006 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.751 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.543 0.211 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pp -67.69 -15.6 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.751 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 31.4 p90 -108.59 162.27 20.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 120.78 6.2 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.484 1.781 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.555 ' CE1' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -137.44 172.87 12.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.604 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.25 132.96 18.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.555 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 73.4 mtm180 -105.46 93.94 4.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.344 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mp -109.33 124.43 66.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -89.45 124.72 34.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.722 HD11 HG21 ' A' ' 103' ' ' ILE . 3.5 mt -83.47 121.64 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 46.09 64.92 2.26 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.7 tt -129.9 135.23 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.29 108.93 17.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.481 HD13 HG21 ' A' ' 74' ' ' VAL . 83.2 mt -112.84 118.45 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 41.2 t -91.53 116.92 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.22 -178.14 40.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.404 1.065 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.91 48.94 36.9 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.16 138.03 53.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.51 138.25 57.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.404 HD13 ' NE2' ' A' ' 73' ' ' GLN . 13.1 mt -108.76 124.16 35.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.451 ' O ' HD11 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -74.95 78.02 2.98 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.42 1.747 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.25 70.73 0.17 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.86 42.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.592 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.94 61.93 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.11 68.66 0.4 Allowed Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -116.31 144.35 44.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 0.818 . . . . 0.0 110.304 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 pt -99.17 140.33 18.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.94 -145.1 4.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HB1' HG22 ' A' ' 36' ' ' ILE . . . -136.61 162.93 31.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.454 ' CB ' ' HA ' ' A' ' 73' ' ' GLN . 21.8 p90 -166.9 144.06 4.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.99 HG21 HD11 ' A' ' 56' ' ' ILE . 96.1 mt -55.95 127.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.55 -51.22 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 141.56 51.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.99 HD11 HG21 ' A' ' 53' ' ' ILE . 3.2 mt -133.6 80.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.34 154.93 2.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.05 145.28 31.07 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.92 -36.0 3.64 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.74 144.2 0.19 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.521 ' CB ' ' CG2' ' A' ' 18' ' ' ILE . 58.2 m -57.82 -24.91 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 0.0 110.081 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.26 -55.78 8.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -65.54 -30.06 70.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -58.77 4.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 61' ' ' SER . 69.3 p -47.88 -40.36 21.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.61 55.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -117.6 -41.81 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 0.809 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.661 HD12 HD11 ' A' ' 53' ' ' ILE . 3.1 mm? -68.22 157.21 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 68' ' ' LEU . 20.6 mtm -161.16 143.44 12.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.9 150.33 3.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.99 -2.72 87.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.4 ' O ' ' HA ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -83.65 121.06 26.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.918 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.454 ' HA ' ' CB ' ' A' ' 52' ' ' TYR . 23.3 tt0 -76.34 126.26 30.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.481 HG21 HD13 ' A' ' 36' ' ' ILE . 32.1 t -86.85 109.38 19.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 104' ' ' CYS . 5.9 mt -75.12 -59.39 2.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -130.69 151.99 50.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.485 ' CE2' HG23 ' A' ' 94' ' ' ILE . 15.9 t-105 -138.52 107.96 6.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 62.03 30.65 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.24 -52.79 1.21 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.466 1.104 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.643 ' H ' HD12 ' A' ' 80' ' ' ILE . 4.3 mp -57.72 122.87 59.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.37 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 145.4 31.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.609 HD21 HG21 ' A' ' 93' ' ' ILE . 33.0 mt -109.26 28.32 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -104.06 139.31 39.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.365 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t 67.45 37.16 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.985 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -126.81 -170.64 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 90' ' ' VAL . 16.2 p -128.54 161.21 30.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.17 . . . . 0.0 110.356 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -42.56 -52.26 4.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.07 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.58 -70.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.223 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 90' ' ' VAL . 5.1 mt-10 -39.92 -64.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.248 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 86' ' ' THR . 45.4 t -40.59 -61.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 95' ' ' SER . 1.4 tt0 -39.16 -59.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.11 -50.65 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.609 HG21 HD21 ' A' ' 82' ' ' LEU . 38.7 mt -54.35 -39.9 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.485 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -77.97 -63.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.24 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -49.31 154.82 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 69.88 102.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -165.17 162.98 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -72.49 -58.54 3.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -168.62 -85.63 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.4 OUTLIER -65.78 169.05 6.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.428 0.722 . . . . 0.0 110.292 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.02 155.33 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.14 138.87 37.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.722 HG21 HD11 ' A' ' 18' ' ' ILE . 14.1 tt -129.99 122.58 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 75' ' ' LEU . 3.3 m -104.5 110.35 22.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 108.363 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 73' ' ' GLN . 28.3 m -105.34 -169.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.532 ' CZ ' ' CB ' ' A' ' 109' ' ' LEU . 1.2 ttp180 -140.94 114.89 9.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.494 ' O ' ' O ' ' A' ' 108' ' ' ASP . 5.4 mt -58.61 -69.76 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 107' ' ' LEU . 34.3 t70 -42.38 169.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.532 ' CB ' ' CZ ' ' A' ' 106' ' ' ARG . 0.2 OUTLIER 77.54 -167.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 171.94 93.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 1.9 mmm . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.939 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.65 -57.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 0.744 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -107.56 161.53 14.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.98 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.15 -90.45 0.3 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.434 1.084 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -76.17 104.76 6.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 109.976 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.8 133.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.43 66.78 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.446 ' CG ' ' N ' ' A' ' 9' ' ' TYR . 40.3 t60 -106.12 168.19 9.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 109.61 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.79 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 33.4 m-85 -112.56 170.75 7.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 111.068 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.3 pt -78.47 -23.25 13.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.79 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 6.6 p90 -105.74 162.17 20.55 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 118.59 5.31 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -131.41 163.88 26.94 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 109.601 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.23 103.8 8.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.95 99.65 12.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.252 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 16' ' ' ILE . 4.1 mp -119.83 143.59 31.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -98.05 156.9 16.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 100' ' ' GLU . 3.5 mt -121.8 117.61 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.0 147.58 26.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -87.4 140.0 29.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.69 126.21 49.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 m -84.95 103.71 14.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mttt 67.45 146.87 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.365 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -172.64 -61.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.399 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -175.47 64.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.676 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -160.54 165.15 31.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 27' ' ' VAL . 8.8 p -155.21 56.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.3 t -150.04 -57.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.057 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.45 104.38 2.7 Favored Glycine 0 CA--C 1.532 1.121 0 O-C-N 124.42 1.075 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -119.94 163.89 16.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.591 0.818 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.61 66.84 0.82 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.1 mt 66.78 151.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.19 55.84 4.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.9 tt -129.01 127.63 66.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 53' ' ' ILE . 9.6 mmt180 -124.41 129.75 51.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.404 HG12 HG21 ' A' ' 74' ' ' VAL . 7.3 mt -137.18 133.08 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.597 HG22 ' CE2' ' A' ' 87' ' ' TYR . 10.5 t -107.71 129.9 60.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.505 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -99.47 179.87 30.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.26 43.85 98.85 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.44 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.1 OUTLIER -127.01 127.63 45.09 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.24 141.75 45.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.433 HG23 ' HD2' ' A' ' 43' ' ' PRO . 20.5 mt -94.95 137.94 22.18 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.02 100.87 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.451 1.764 . . . . 0.0 111.073 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 125.92 -56.05 0.72 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -45.89 151.23 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.599 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.76 87.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.02 63.2 1.33 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -125.98 150.62 47.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.735 . . . . 0.0 110.311 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 6.6 pt -101.22 161.89 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.583 1.177 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.96 -162.81 14.3 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -126.83 138.27 53.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.44 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 38.3 p90 -135.42 151.62 50.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 72' ' ' MET . 29.8 mt -69.68 100.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.437 1.086 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.69 -58.43 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -161.17 175.18 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.04 138.14 55.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.44 164.54 18.89 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 98.7 1.18 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.92 58.65 10.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.486 1.116 . . . . 0.0 111.054 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.6 -159.54 29.83 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.1 m -74.37 -39.41 62.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 0.793 . . . . 0.0 110.028 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.26 -48.65 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.51 -30.08 70.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.068 . . . . 0.0 110.254 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -44.93 36.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 110.25 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.3 p -57.71 -49.51 76.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.424 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.12 -34.86 5.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -65.72 -63.03 1.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.505 0.767 . . . . 0.0 109.351 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.411 HD11 HD13 ' A' ' 103' ' ' ILE . 2.6 mm? -44.5 131.22 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 3.5 ttt -137.34 152.27 49.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 69' ' ' MET . 1.6 mt-10 -67.26 145.41 55.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.03 23.59 61.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.515 ' HB2' HD12 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -101.67 134.64 44.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -79.24 118.86 21.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.404 HG21 HG12 ' A' ' 36' ' ' ILE . 17.8 t -88.43 111.78 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.421 HD13 ' HE1' ' A' ' 11' ' ' PHE . 5.1 mt -66.34 -53.99 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.3 mp0 -145.42 159.31 43.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.224 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.452 ' CE2' HG23 ' A' ' 94' ' ' ILE . 10.1 t-105 -134.71 123.75 24.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 107.984 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 56.35 29.87 15.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.01 -42.41 2.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.519 ' H ' HD12 ' A' ' 80' ' ' ILE . 1.7 mp -65.5 125.86 90.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 149.51 36.96 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.476 1.777 . . . . 0.0 111.046 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.607 HD22 HG13 ' A' ' 90' ' ' VAL . 48.8 mt -109.99 -18.21 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.592 1.182 . . . . 0.0 109.249 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 52.5 m -61.48 135.36 57.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.5 m 71.37 42.31 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 110.02 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -132.02 -156.77 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 41.6 p -137.92 152.22 48.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.597 ' CE2' HG22 ' A' ' 37' ' ' VAL . 10.1 t80 -38.38 -58.75 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.368 1.042 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -53.89 -66.25 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -40.09 -59.13 1.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.607 HG13 HD22 ' A' ' 82' ' ' LEU . 87.5 t -50.2 -61.94 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.39 -58.79 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 t -47.53 -48.11 27.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 90' ' ' VAL . 23.3 mt -56.78 -39.08 61.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.452 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -78.14 -61.87 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 91' ' ' GLN . 5.7 m -66.97 71.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.5 OUTLIER -179.05 70.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -169.6 109.51 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.8 m -89.25 83.51 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 131.13 -178.12 17.99 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -39.04 157.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.276 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -146.3 164.58 31.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.33 137.92 51.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.412 ' HB ' ' CE3' ' A' ' 77' ' ' TRP . 10.9 tt -127.97 145.4 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 75' ' ' LEU . 34.7 m -125.28 101.24 6.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.484 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -114.63 162.81 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 109.256 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.484 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 63.4 ttt180 -91.61 147.2 23.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 107' ' ' LEU . 13.5 mt -73.07 -80.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.36 94.8 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.465 HD13 ' H ' ' A' ' 110' ' ' ASN . 0.1 OUTLIER -177.77 136.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.465 ' H ' HD13 ' A' ' 109' ' ' LEU . 13.4 p-10 -149.59 121.72 8.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 7.4 mtt -93.33 -56.31 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.26 88.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.97 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.48 157.83 18.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 66.39 5.95 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.067 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.4 t -97.83 115.52 28.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.66 -59.99 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.027 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.85 161.88 29.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 110.05 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t 67.64 93.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.933 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.57 115.26 0.4 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.442 1.089 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -176.11 112.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.767 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.76 116.16 20.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.7 130.73 12.17 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.508 1.13 . . . . 0.0 110.955 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.08 124.02 43.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.401 0.706 . . . . 0.0 109.574 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.11 -179.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.631 1.207 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.401 HD13 ' H ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -89.69 -10.92 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -119.0 162.43 31.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 111.059 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 119.83 5.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.509 1.794 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.78 165.43 27.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.574 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.04 149.24 46.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.407 1.067 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.06 84.88 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.0 mp -104.6 153.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -113.44 160.29 18.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.16 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 4.6 mt -116.22 115.61 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.06 135.38 34.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.418 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.64 98.02 3.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' LYS . 52.8 t0 50.38 67.35 0.93 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER 68.06 -69.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.034 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 22' ' ' SER . 7.1 mttt 168.82 78.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER 174.02 137.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.429 ' CB ' ' O ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER 168.16 156.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.674 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.3 m -158.36 131.19 7.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 110.421 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.2 t 62.15 122.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 m 63.61 125.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 171.83 78.65 0.05 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.29 108.24 4.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 0.771 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 33' ' ' GLY . . . 167.93 -63.47 0.2 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.0 mt 68.11 -69.47 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.767 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' GLY . . . 128.68 71.97 0.15 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 tt -154.06 132.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.364 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -121.71 112.89 18.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.408 1.068 . . . . 0.0 110.344 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.679 HD13 HG21 ' A' ' 74' ' ' VAL . 11.7 mt -127.71 133.71 66.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.603 HG13 ' HD2' ' A' ' 87' ' ' TYR . 39.5 t -105.26 117.09 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.09 166.54 29.83 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.89 10.54 86.1 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -87.43 146.0 26.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.366 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -75.06 132.84 41.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.581 HG23 ' HD2' ' A' ' 43' ' ' PRO . 24.5 mt -88.83 140.59 29.43 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.17 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.581 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.04 -62.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.22 -68.86 0.66 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -44.76 167.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 0.726 . . . . 0.0 109.554 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.59 -49.17 10.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.14 . . . . 0.0 109.972 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -163.85 91.49 0.11 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -158.97 148.07 18.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 0.749 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.493 HD12 ' O ' ' A' ' 85' ' ' LYS . 5.3 pt -97.81 149.65 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.75 -168.73 23.05 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.451 1.095 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.667 ' HB1' HG22 ' A' ' 36' ' ' ILE . . . -118.94 151.16 38.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.735 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.667 ' C ' HG23 ' A' ' 36' ' ' ILE . 27.6 p90 -151.54 143.55 23.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.529 HD12 ' HB2' ' A' ' 72' ' ' MET . 67.9 mt -58.11 120.0 3.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.95 -52.22 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -141.65 140.46 33.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.449 ' CG1' HG21 ' A' ' 53' ' ' ILE . 3.2 mt -114.1 114.81 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mt -40.61 157.43 0.18 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 109.16 2.87 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.484 1.781 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.47 21.58 42.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.74 -159.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.471 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 74.4 m -77.27 -41.05 42.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 0.735 . . . . 0.0 109.973 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.11 -34.74 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.89 -30.49 62.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.42 -51.35 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.9 p -46.51 -53.28 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.42 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.31 -32.37 5.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -10.87 57.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 0.777 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -97.19 164.0 12.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.438 ' CG ' ' O ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -172.31 154.29 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.43 157.9 30.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.77 -6.23 75.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.52 1.137 . . . . 0.0 111.052 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.529 ' HB2' HD12 ' A' ' 53' ' ' ILE . 2.8 mmt -78.03 140.54 39.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -91.64 115.42 28.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.679 HG21 HD13 ' A' ' 36' ' ' ILE . 39.7 t -75.31 110.41 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.88 -57.87 3.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.228 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -137.3 155.94 48.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.656 ' CD2' HG22 ' A' ' 94' ' ' ILE . 6.0 t-105 -136.57 112.24 9.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 107.983 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 56.92 34.89 25.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.45 -46.17 2.58 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.098 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.543 ' CG2' HD13 ' A' ' 93' ' ' ILE . 2.7 mp -60.63 119.4 43.47 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.545 0.791 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 142.46 28.06 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.974 HD22 HG13 ' A' ' 90' ' ' VAL . 86.4 mt -98.71 -15.13 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.444 ' O ' ' CB ' ' A' ' 84' ' ' SER . 23.4 m -69.15 127.35 32.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 110.396 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 83' ' ' THR . 0.2 OUTLIER 81.13 32.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 110.005 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.493 ' O ' HD12 ' A' ' 49' ' ' ILE . 3.5 mmmt -124.85 -174.82 3.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 57.1 p -121.67 156.45 33.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 110.343 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.603 ' HD2' HG13 ' A' ' 37' ' ' VAL . 24.0 t80 -39.11 -63.52 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.37 1.044 . . . . 0.0 111.028 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.76 -66.37 0.41 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -39.96 -71.12 0.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.546 1.154 . . . . 0.0 110.351 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.974 HG13 HD22 ' A' ' 82' ' ' LEU . 52.0 t -40.92 -63.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.167 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.531 ' HA ' HD11 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -46.29 -47.89 18.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -35.69 77.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.543 HD13 ' CG2' ' A' ' 80' ' ' ILE . 89.4 mt -72.48 -60.21 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.87 HD13 HG12 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -57.26 -34.4 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 91' ' ' GLN . 41.6 m -83.31 179.71 7.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.039 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 43.66 60.49 2.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.251 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -126.86 133.48 50.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 110.324 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 t -102.78 142.18 34.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 64.72 171.18 2.57 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.441 1.088 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.456 ' N ' ' CD ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -40.6 160.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 0.731 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -138.99 151.14 46.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.356 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -107.16 136.4 47.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.2 tt -128.86 138.96 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 4.0 m -118.47 109.41 16.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.327 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 74' ' ' VAL . 15.9 m -118.39 162.72 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.362 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.47 ' CZ ' HD23 ' A' ' 109' ' ' LEU . 22.8 ttt180 -90.24 141.96 28.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 107' ' ' LEU . 16.2 mt -71.25 -61.83 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.388 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -93.49 88.8 6.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -177.13 124.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -133.19 141.22 47.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.31 -64.83 1.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.9 t 67.64 128.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -84.62 141.53 19.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 95.16 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.559 1.82 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 12.7 t -158.23 123.25 4.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.997 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.72 116.64 26.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.95 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 111.037 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -177.44 -57.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.048 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.81 166.89 2.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.39 161.46 2.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.398 1.061 . . . . 0.0 111.042 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.9 t -137.22 86.51 2.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.774 . . . . 0.0 110.023 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -155.26 91.64 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.11 116.21 1.04 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -148.08 147.36 29.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 0.81 . . . . 0.0 109.609 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -79.13 155.16 28.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 pp -59.32 -31.73 46.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -100.49 161.39 24.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 132.1 15.1 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.552 1.817 . . . . 0.0 110.969 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.35 168.23 20.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.96 128.81 20.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -103.82 92.35 4.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.13 141.72 16.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -101.96 156.37 17.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.786 HD11 HD12 ' A' ' 103' ' ' ILE . 4.6 mt -127.33 119.43 52.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.457 ' HA ' ' CB ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -90.8 155.67 18.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.37 -67.67 0.98 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.352 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t0 48.82 80.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.56 -49.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.23 96.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.413 ' CB ' ' O ' ' A' ' 28' ' ' SER . 2.6 m-20 -55.64 -70.38 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -167.17 -67.42 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.523 1.14 . . . . 0.0 109.658 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.672 HG22 HG13 ' A' ' 27' ' ' VAL . 1.8 m -159.32 -91.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.383 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.672 HG13 HG22 ' A' ' 26' ' ' THR . 16.0 m -92.96 24.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 24' ' ' ASP . 0.6 OUTLIER -117.69 113.72 22.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 148.58 118.06 0.95 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.42 1.075 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -60.39 -64.97 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 109.298 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 179.7 -152.29 10.83 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.458 1.099 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.667 ' CD1' ' HB3' ' A' ' 101' ' ' ALA . 16.9 mt -88.1 50.99 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 38.85 67.9 0.52 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.498 HD12 ' HB1' ' A' ' 62' ' ' ALA . 12.4 tt -155.02 140.95 11.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -114.98 104.95 12.41 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.093 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -113.47 116.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 55.9 t -93.81 122.83 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.31 173.64 24.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.45 30.37 77.4 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.501 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -103.19 138.14 40.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.17 138.69 58.43 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.504 1.128 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.539 HD11 ' HA3' ' A' ' 50' ' ' GLY . 13.1 mt -107.76 139.97 21.13 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.95 -72.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.544 1.813 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -42.14 -50.89 5.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.17 138.75 58.65 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.482 0.754 . . . . 0.0 109.6 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 m -64.13 85.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.02 74.11 0.17 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.513 1.133 . . . . 0.0 111.072 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -139.45 138.51 36.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 85' ' ' LYS . 6.8 pt -79.64 157.39 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.539 ' HA3' HD11 ' A' ' 42' ' ' ILE . . . -167.31 -152.06 7.25 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 37' ' ' VAL . . . -137.13 148.82 46.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 0.801 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.501 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 18.7 p90 -151.21 148.11 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.073 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.583 HD12 ' HB2' ' A' ' 72' ' ' MET . 3.9 mt -61.34 107.41 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.26 -56.03 4.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -138.83 143.0 38.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.138 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mt -110.7 106.48 20.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -41.19 150.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.4 Cg_endo -75.03 137.77 22.08 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 37.22 52.96 1.67 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.58 -165.8 24.45 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.47 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 68.4 m -77.28 -33.63 55.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 110.062 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.498 ' HB1' HD12 ' A' ' 34' ' ' ILE . . . -72.4 -48.71 39.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -67.13 -27.26 67.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.66 -48.96 66.13 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.418 1.074 . . . . 0.0 110.278 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.2 p -51.54 -45.09 62.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.382 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.2 11.59 85.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -109.11 -24.77 11.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.37 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.456 HD11 HG21 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -80.42 144.99 32.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.092 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.5 mmt -143.21 151.84 41.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 111.04 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.53 150.25 47.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.05 -35.66 3.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.145 . . . . 0.0 110.961 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.583 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.8 mmm -45.46 135.38 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.941 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.458 ' OE1' ' CG2' ' A' ' 42' ' ' ILE . 36.0 tt0 -91.18 114.53 27.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.4 t -76.71 109.63 11.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 104' ' ' CYS . 3.1 mt -65.18 -58.53 5.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -137.95 155.85 48.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.125 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.593 ' CE3' HG13 ' A' ' 103' ' ' ILE . 15.5 t-105 -127.14 121.89 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 108.076 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.595 HD21 ' HB1' ' A' ' 101' ' ' ALA . 1.4 m-80 53.06 29.98 8.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.64 -37.76 3.32 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.662 ' H ' HD12 ' A' ' 80' ' ' ILE . 4.2 mp -69.79 126.9 92.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.47 0.747 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.69 43.29 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.442 1.759 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.869 HD22 HG13 ' A' ' 90' ' ' VAL . 78.6 mt -118.17 -2.53 11.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.386 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.427 ' O ' ' CB ' ' A' ' 84' ' ' SER . 3.9 m -76.67 129.37 36.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 83' ' ' THR . 0.4 OUTLIER 80.49 35.29 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.72 ' O ' HD12 ' A' ' 49' ' ' ILE . 7.1 mmtt -130.31 -175.79 3.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.8 p -123.47 157.53 33.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -37.75 -58.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.375 1.047 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -50.86 -70.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 88' ' ' GLU . 2.4 mt-10 -38.85 -65.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.869 HG13 HD22 ' A' ' 82' ' ' LEU . 91.8 t -42.28 -59.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -41.85 -63.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -52.86 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.6 mt -52.34 -43.34 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -74.74 -58.95 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -38.55 -76.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -48.18 109.01 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.422 ' NE2' ' OD1' ' A' ' 78' ' ' ASN . 11.0 tp-100 -160.67 -79.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.86 67.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.022 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.77 176.95 14.62 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.457 ' CB ' ' HA ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -41.85 156.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 110.338 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.667 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . . . -153.61 158.49 41.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -102.92 169.75 8.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.786 HD12 HD11 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -145.97 152.33 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' LEU . 42.2 t -140.2 88.16 2.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.3 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.522 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -109.34 164.97 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.831 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 28.1 ttp180 -97.36 140.9 31.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 108' ' ' ASP . 48.6 mt -71.68 -99.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 107' ' ' LEU . 17.4 m-20 -43.67 166.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.831 HD22 ' CZ ' ' A' ' 106' ' ' ARG . 9.6 tt 69.1 159.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.211 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.594 ' N ' HD23 ' A' ' 109' ' ' LEU . 41.0 t30 -172.89 137.22 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.46 94.67 0.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.02 -176.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -130.68 174.76 19.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 164.77 32.76 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.11 118.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.924 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.13 -59.01 0.65 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.466 1.104 . . . . 0.0 109.958 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.22 -80.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 0.809 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.21 134.15 7.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.56 -174.48 48.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.11 138.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 0.797 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.1 p -132.03 -56.17 0.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.38 51.35 5.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.384 1.053 . . . . 0.0 111.005 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -143.87 126.98 16.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 0.724 . . . . 0.0 109.559 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.672 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 2.1 m-85 -63.74 162.97 12.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.7 pp -68.43 -35.22 69.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.672 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 30.0 p90 -87.98 161.73 43.08 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.39 6.55 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.492 1.785 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -145.2 162.48 37.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.26 136.24 49.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.564 ' C ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -125.31 92.78 3.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.586 ' N ' HD12 ' A' ' 16' ' ' ILE . 4.3 mp -126.16 165.5 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.497 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -113.43 154.69 26.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.752 HD11 HG21 ' A' ' 103' ' ' ILE . 8.3 mm -104.31 117.5 49.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.39 132.4 46.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -91.03 97.47 11.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.251 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.3 120.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.7 t -172.67 123.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.187 . . . . 0.0 109.971 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.69 131.55 8.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -178.32 104.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -104.64 103.84 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -174.55 159.06 2.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 110.443 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 64.0 t -59.7 137.96 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.57 -59.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.994 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.5 -135.49 12.72 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.078 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -166.05 108.06 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.6 -129.97 0.03 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.51 1.131 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp -84.51 102.29 12.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 0.794 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.522 ' HA3' HD12 ' A' ' 57' ' ' LEU . . . -78.66 72.29 2.42 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.604 HD12 ' HB2' ' A' ' 62' ' ' ALA . 11.9 tt -131.91 132.07 61.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -114.68 105.39 13.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 52' ' ' TYR . 75.0 mt -120.57 127.86 75.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.0 t -104.89 118.56 52.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.349 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.33 163.06 27.41 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.423 1.077 . . . . 0.0 111.062 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.71 51.63 24.23 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -123.2 141.85 51.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -65.83 133.97 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 15.3 mt -98.21 140.01 21.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.05 101.0 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.572 1.827 . . . . 0.0 111.029 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.52 78.36 1.09 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.541 1.151 . . . . 0.0 110.963 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -163.05 38.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 0.762 . . . . 0.0 109.602 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.88 40.18 24.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.55 68.32 1.76 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -122.45 156.8 33.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 0.809 . . . . 0.0 110.279 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 pt -103.82 160.03 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.33 -160.66 12.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.552 1.158 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.19 142.88 51.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.368 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 27.8 p90 -145.54 164.85 30.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.448 HG21 HG12 ' A' ' 56' ' ' ILE . 91.7 mt -81.57 116.75 26.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.64 -52.24 12.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' CD ' ' N ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -148.14 147.38 29.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.451 ' N ' ' CD ' ' A' ' 55' ' ' LYS . 3.4 mt -109.63 112.8 42.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.522 HD12 ' HA3' ' A' ' 33' ' ' GLY . 7.4 mt -54.54 162.65 1.61 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 125.56 9.43 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.479 1.779 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 44.13 35.63 3.67 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.466 1.104 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.28 178.02 53.07 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.2 m -55.49 -33.13 63.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 0.771 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.604 ' HB2' HD12 ' A' ' 34' ' ' ILE . . . -79.19 -60.06 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.43 -27.14 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -38.93 69.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.474 HG21 HD13 ' A' ' 18' ' ' ILE . 43.2 p -63.12 -46.93 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.07 -39.79 3.08 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -12.78 60.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 0.783 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.51 HD11 HD13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -90.46 152.83 20.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.96 170.77 19.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.177 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -77.51 157.85 30.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.41 22.22 65.34 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.408 1.068 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.404 ' O ' ' HA ' ' A' ' 52' ' ' TYR . 13.8 mmm -93.43 126.77 38.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -81.58 116.37 21.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 110.349 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.2 t -86.71 111.39 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 104' ' ' CYS . 11.2 mt -63.22 -55.84 21.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' CG ' ' HA ' ' A' ' 81' ' ' PRO . 2.7 mt-10 -138.94 162.1 35.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.508 ' CE2' HG23 ' A' ' 94' ' ' ILE . 32.9 t-105 -139.04 119.08 13.39 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 60.11 29.67 19.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.92 -46.38 2.27 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.9 mp -64.47 124.48 86.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.453 0.737 . . . . 0.0 109.37 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.494 ' HA ' ' CG ' ' A' ' 76' ' ' GLU . 18.7 Cg_endo -74.89 152.35 41.23 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.495 1.787 . . . . 0.0 111.086 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.631 HD13 HG13 ' A' ' 90' ' ' VAL . 23.8 mt -114.81 9.98 16.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 109.239 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.477 ' O ' ' CB ' ' A' ' 84' ' ' SER . 30.8 m -84.8 122.14 28.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 83' ' ' THR . 3.0 t 84.25 33.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.166 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -123.14 -162.27 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.5 p -135.96 152.12 50.64 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.59 1.181 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -37.72 -57.09 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.75 -67.17 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 110.338 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -41.33 -64.74 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.665 HG12 HD11 ' A' ' 94' ' ' ILE . 71.1 t -43.87 -57.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.516 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.33 -52.53 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.91 -40.64 80.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.034 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.53 HG21 HD21 ' A' ' 82' ' ' LEU . 62.1 mt -62.44 -35.02 67.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.665 HD11 HG12 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -85.07 -66.03 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 91' ' ' GLN . 1.2 t -53.15 153.31 3.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 110.066 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 55.16 102.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.99 -163.32 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.33 73.57 0.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.941 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.5 -130.41 20.8 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 2.2 pp20? -53.33 -179.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 110.322 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.73 149.35 1.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.13 136.24 33.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.752 HG21 HD11 ' A' ' 18' ' ' ILE . 6.7 tt -121.97 112.57 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 75' ' ' LEU . 36.9 m -100.3 103.05 14.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 108.279 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -118.94 163.89 15.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.703 ' HD3' HD23 ' A' ' 109' ' ' LEU . 71.0 ttt180 -90.58 156.33 18.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 107' ' ' LEU . 11.8 mt -81.6 -85.25 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -70.14 86.74 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.703 HD23 ' HD3' ' A' ' 106' ' ' ARG . 0.3 OUTLIER -157.25 139.21 14.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.411 1.07 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.556 ' N ' HD13 ' A' ' 109' ' ' LEU . 2.9 t-20 -137.89 134.8 35.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.62 69.48 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.9 m -134.56 159.64 40.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -123.29 -145.95 6.97 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.583 1.177 . . . . 0.0 111.033 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.69 3.0 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.81 141.64 56.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.043 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.9 p -97.46 100.98 12.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.959 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.099 . . . . 0.0 110.942 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t 42.82 91.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.85 78.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.24 68.02 0.63 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -110.95 136.98 49.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 109.954 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -99.45 78.22 2.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.963 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.03 102.95 0.74 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -146.24 130.06 17.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 0.797 . . . . 0.0 109.631 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 14.2 m-85 -62.82 167.73 4.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.04 -25.45 27.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 30.5 p90 -96.6 161.66 25.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 125.37 9.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.397 1.735 . . . . 0.0 111.041 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.07 169.65 18.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.38 151.54 40.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 15' ' ' ARG . 28.3 mtm105 -122.72 90.38 3.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.6 mp -96.93 156.0 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -116.08 130.86 57.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.396 1.06 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.582 HG22 HD22 ' A' ' 32' ' ' LEU . 4.0 mt -91.32 121.2 41.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.72 126.88 54.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 110.376 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.44 157.91 8.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.89 122.9 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.87 86.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 110.054 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.18 76.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.712 ' HB3' HG22 ' A' ' 26' ' ' THR . 2.0 m-20 59.38 157.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.12 4.63 37.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.568 1.167 . . . . 0.0 109.551 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.712 HG22 ' HB3' ' A' ' 24' ' ' ASP . 4.7 t -87.63 -19.65 27.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.566 HG23 HG23 ' A' ' 26' ' ' THR . 53.7 t -119.71 136.1 57.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.6 1.188 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.1 m 62.68 172.59 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.957 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.41 112.21 0.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -120.21 -54.29 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 0.731 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 168.81 167.06 28.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.573 1.171 . . . . 0.0 111.002 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.582 HD22 HG22 ' A' ' 18' ' ' ILE . 98.0 mt -47.07 -52.14 15.86 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.477 0.751 . . . . 0.0 109.369 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.39 76.67 1.03 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.3 tt -151.0 137.75 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 0.796 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.7 109.9 19.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.585 HD13 HG21 ' A' ' 74' ' ' VAL . 72.5 mt -118.22 130.41 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.217 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.467 HG22 ' CE2' ' A' ' 87' ' ' TYR . 18.1 t -108.56 131.73 58.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.79 -171.19 25.46 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.89 36.13 49.69 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.508 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -114.02 137.94 51.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.34 142.36 58.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.262 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.506 HD13 ' NE2' ' A' ' 73' ' ' GLN . 22.3 mt -100.8 139.81 20.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.472 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.7 Cg_endo -74.92 -47.22 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.441 1.759 . . . . 0.0 111.034 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.81 -65.08 3.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -55.89 168.74 0.42 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 0.785 . . . . 0.0 109.576 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.4 m -109.44 121.24 44.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 109.973 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 39.69 65.89 0.82 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.03 139.5 23.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 110.228 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.537 HD12 ' O ' ' A' ' 85' ' ' LYS . 4.9 pt -98.71 150.76 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.7 -155.32 7.39 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -128.44 156.24 43.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 20.4 p90 -160.62 147.06 15.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.456 HD11 HD12 ' A' ' 68' ' ' LEU . 88.7 mt -56.54 113.02 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.83 -55.27 4.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 tptt -136.91 139.73 41.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LEU . 2.2 mt -107.32 108.98 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.494 1.122 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ILE . 1.2 mm? -40.22 152.69 0.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.1 Cg_endo -75.12 132.69 15.55 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.527 1.804 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 36.8 44.46 0.94 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.31 -174.73 40.5 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m -64.54 -32.75 74.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 0.763 . . . . 0.0 110.045 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.08 -61.96 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.94 -23.25 6.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -56.1 26.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.4 p -42.92 -54.89 3.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.421 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.24 -38.81 2.98 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -35.81 81.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.497 HD11 HG21 ' A' ' 103' ' ' ILE . 1.1 mm? -69.58 145.32 52.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.242 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.76 154.7 24.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.15 157.15 23.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.95 12.76 83.74 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.4 mmt -95.34 119.72 34.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.601 0.824 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.506 ' NE2' HD13 ' A' ' 42' ' ' ILE . 42.8 tt0 -71.19 116.37 11.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 110.353 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 36' ' ' ILE . 40.4 t -80.36 109.83 15.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 mt -72.71 -55.41 6.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -140.16 151.13 45.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.087 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.655 ' CE2' HG23 ' A' ' 94' ' ' ILE . 31.2 t-105 -128.46 114.22 16.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.019 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.737 HD21 ' HB1' ' A' ' 101' ' ' ALA . 2.4 m-80 56.36 30.25 16.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.353 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.93 -52.67 0.9 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.579 ' H ' HD12 ' A' ' 80' ' ' ILE . 4.8 mp -59.39 126.51 82.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 0.789 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.467 ' O ' HD23 ' A' ' 82' ' ' LEU . 18.4 Cg_endo -75.0 155.78 42.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.593 1.838 . . . . 0.0 111.042 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.504 HD13 HG13 ' A' ' 90' ' ' VAL . 58.5 mt -124.0 35.46 4.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -108.78 140.59 42.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.468 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.07 36.44 9.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.962 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.537 ' O ' HD12 ' A' ' 49' ' ' ILE . 4.2 mmtt -122.4 -157.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.374 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 90' ' ' VAL . 82.2 p -138.96 163.19 32.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.363 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.467 ' CE2' HG22 ' A' ' 37' ' ' VAL . 6.0 t80 -45.55 -62.6 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.0 -63.8 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.249 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -44.67 -64.85 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.504 HG13 HD13 ' A' ' 82' ' ' LEU . 84.1 t -45.39 -61.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 95' ' ' SER . 15.6 tt0 -41.46 -62.87 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.559 1.162 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.3 t -40.45 -51.12 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.057 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.563 HD13 ' CG2' ' A' ' 80' ' ' ILE . 29.4 mt -54.81 -42.87 64.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.655 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -75.09 -63.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -54.4 -169.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 78.42 -60.95 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -70.52 147.34 49.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.312 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.99 101.94 4.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.919 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 147.66 -163.94 28.79 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.471 1.107 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 16.0 tt0 -49.55 152.55 1.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.594 0.82 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.737 ' HB1' HD21 ' A' ' 78' ' ' ASN . . . -163.07 162.6 25.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.76 134.64 54.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.497 HG21 HD11 ' A' ' 68' ' ' LEU . 6.5 tt -121.91 132.94 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 52.1 m -114.5 114.02 25.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.271 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.5 m -121.42 174.72 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.614 1.196 . . . . 0.0 109.259 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.639 ' HD2' HD23 ' A' ' 109' ' ' LEU . 26.6 ttm180 -113.81 121.97 45.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.7 mt -52.9 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -76.63 82.48 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.716 HD13 ' H ' ' A' ' 110' ' ' ASN . 0.2 OUTLIER -167.31 148.72 5.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.716 ' H ' HD13 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -155.6 138.84 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.57 120.73 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.22 -64.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.422 1.076 . . . . 0.0 110.043 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 63.51 -156.42 42.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 134.04 17.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.513 1.796 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.11 138.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.956 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.6 m -52.92 164.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.8 133.63 53.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.905 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.77 75.8 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.41 -75.19 1.08 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.115 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.5 169.36 24.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.747 . . . . 0.0 109.999 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.55 128.73 0.99 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.977 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.4 -164.37 11.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.568 ' ND1' ' CD2' ' A' ' 13' ' ' HIS . 4.7 p80 -158.11 -58.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.774 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.668 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 5.0 m-85 -153.27 159.64 42.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 pp -70.33 -10.15 13.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.668 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 8.4 p90 -115.87 163.22 21.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.96 5.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.563 1.822 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.568 ' CD2' ' ND1' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -136.08 174.79 10.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.97 150.42 29.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -123.33 95.1 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.593 1.183 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.7 mp -116.16 119.93 63.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 133.03 34.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 2.4 mt -76.78 119.72 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.29 131.16 55.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 110.445 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -95.08 114.64 26.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -173.27 107.8 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.53 -53.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.48 152.93 48.72 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.16 155.09 22.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.4 t60 -159.72 -75.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.573 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 t -125.97 -44.5 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.444 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.2 p -47.18 151.99 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.9 t -172.82 87.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.1 132.09 3.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.451 1.094 . . . . 0.0 111.047 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 57.11 95.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 0.8 . . . . 0.0 109.289 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.428 ' O ' HD12 ' A' ' 32' ' ' LEU . . . -168.21 77.22 0.11 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.498 1.123 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' HA ' HD12 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -128.72 -79.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 105.74 87.34 1.97 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.483 1.115 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.574 HD12 ' HB1' ' A' ' 62' ' ' ALA . 4.9 tt -156.39 135.88 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.581 0.812 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.38 110.55 18.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.542 HD13 HG21 ' A' ' 74' ' ' VAL . 50.7 mt -117.3 130.51 72.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.3 t -107.02 122.51 61.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.55 179.29 38.72 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.437 1.086 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.47 47.98 72.94 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.527 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -124.16 127.44 47.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 0.81 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.88 137.8 37.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.5 mt -94.29 117.32 67.07 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 65.41 6.04 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.33 -50.87 0.09 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.486 1.116 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -68.59 176.39 2.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 109.605 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.33 87.57 7.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.03 73.97 0.23 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -137.32 141.2 41.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 110.261 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.09 144.58 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.23 -142.18 3.56 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.413 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -138.42 143.6 39.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.239 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 23.7 p90 -143.17 148.14 36.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.541 HD12 ' HB2' ' A' ' 72' ' ' MET . 6.1 mt -66.61 108.97 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.28 -55.76 5.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -137.19 147.95 46.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.437 HG22 ' CD ' ' A' ' 63' ' ' GLU . 2.5 mt -115.83 106.88 21.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 3.3 mm? -39.93 145.11 0.48 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.423 ' O ' ' N ' ' A' ' 60' ' ' GLY . 18.2 Cg_endo -75.04 147.4 33.74 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 37.56 31.89 0.09 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 58' ' ' PRO . . . -86.38 -171.07 47.54 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.46 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 22.5 m -78.57 -41.44 31.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 110.017 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.574 ' HB1' HD12 ' A' ' 34' ' ' ILE . . . -67.24 -38.47 85.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' CD ' HG22 ' A' ' 56' ' ' ILE . 1.2 tp10 -73.69 -28.93 62.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.95 -51.89 67.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -40.02 -53.48 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.387 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.2 -36.89 3.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -68.16 -25.4 65.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -82.79 140.02 33.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 1.1 mtm -155.21 157.86 37.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -64.3 146.21 54.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.04 6.57 69.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.413 1.07 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.541 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.3 mmt -88.59 123.54 33.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.402 ' NE2' HD23 ' A' ' 75' ' ' LEU . 12.7 tt0 -73.0 116.11 13.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.241 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.651 ' CG1' HD12 ' A' ' 82' ' ' LEU . 82.0 t -74.28 109.7 7.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.402 HD23 ' NE2' ' A' ' 73' ' ' GLN . 81.6 mt -77.43 -58.56 3.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.455 ' O ' HD12 ' A' ' 103' ' ' ILE . 0.7 OUTLIER -139.41 152.32 46.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.682 ' HE3' HD13 ' A' ' 103' ' ' ILE . 69.6 t-105 -131.46 117.08 18.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 108.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.575 ' N ' HD22 ' A' ' 78' ' ' ASN . 1.3 m-80 51.02 35.45 12.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.84 -45.33 2.33 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.476 1.11 . . . . 0.0 111.053 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.639 HG22 HD13 ' A' ' 93' ' ' ILE . 3.4 mp -64.52 119.49 57.38 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -74.96 156.18 43.14 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.502 1.791 . . . . 0.0 111.006 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.651 HD12 ' CG1' ' A' ' 74' ' ' VAL . 28.8 mt -121.19 39.61 3.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.2 m -105.15 128.03 53.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.393 1.058 . . . . 0.0 110.496 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.8 t 67.14 47.61 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -128.38 178.55 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.8 p -112.94 152.43 29.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -37.81 -57.55 0.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.592 1.183 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.84 -66.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -39.19 -66.7 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.227 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.537 HG13 HD22 ' A' ' 82' ' ' LEU . 46.1 t -43.44 -58.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.2 OUTLIER -45.98 -40.66 10.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.2 t -64.86 -35.76 82.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.639 HD13 HG22 ' A' ' 80' ' ' ILE . 68.3 mt -67.7 -34.99 71.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.59 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -84.81 -61.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 91' ' ' GLN . 2.5 t -38.77 137.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.07 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 74.22 94.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.354 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -134.61 153.77 51.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 m -124.07 134.05 53.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 46.62 -142.43 5.46 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.409 1.068 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.36 179.25 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.242 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -161.84 162.1 29.26 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.451 1.095 . . . . 0.0 109.229 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.57 137.72 46.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.682 HD13 ' HE3' ' A' ' 77' ' ' TRP . 2.4 tp -135.77 154.15 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.633 ' H ' HD12 ' A' ' 103' ' ' ILE . 18.0 t -140.63 116.29 10.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 108.264 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.8 m -116.67 176.52 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.645 ' NH2' ' CZ ' ' A' ' 11' ' ' PHE . 27.7 ttm180 -118.58 114.51 22.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.361 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.4 mt -54.22 -68.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -41.07 -72.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.64 131.0 3.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.56 101.28 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.46 74.76 6.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.33 77.83 1.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.412 1.07 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -47.88 159.34 0.6 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.87 0.7 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.527 1.804 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.64 96.53 2.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.34 129.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.1 . . . . 0.0 111.002 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -169.69 86.51 0.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 0.771 . . . . 0.0 109.987 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -167.02 117.4 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.28 -82.87 0.05 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.41 135.97 55.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 109.985 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t 59.33 108.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.066 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.82 165.92 16.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -110.42 128.86 55.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 0.763 . . . . 0.0 109.621 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.542 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 4.3 m-85 -60.84 175.18 0.51 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 pt -75.0 -26.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.542 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 23.5 p90 -99.89 161.25 24.95 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 127.72 10.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.493 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -145.53 172.63 12.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.615 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -154.0 152.63 30.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 12.4 mtp180 -117.93 83.91 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' A' ' 17' ' ' LYS . 2.9 mt -77.64 159.25 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.43 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -110.03 147.8 32.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.496 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 16.2 mm -104.99 117.16 50.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.32 129.75 54.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.411 1.069 . . . . 0.0 110.357 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' HG3' HD22 ' A' ' 32' ' ' LEU . 1.2 mtt180 -87.41 135.72 33.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.65 101.96 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.342 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.04 85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.977 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.63 103.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 61.01 160.16 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -84.62 -62.29 1.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.643 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.6 p -72.36 85.64 1.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.12 . . . . 0.0 110.342 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.9 t -105.16 135.93 41.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.0 t -86.04 132.57 34.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.975 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.51 -138.29 3.1 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -141.98 128.32 19.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.27 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.32 174.59 0.04 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.137 . . . . 0.0 110.957 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.486 HD22 ' HG3' ' A' ' 20' ' ' ARG . 46.2 mt -91.18 63.55 5.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.579 0.811 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 41.72 39.74 2.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.455 HD12 ' HB2' ' A' ' 62' ' ' ALA . 19.5 tt -131.45 136.53 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 0.779 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -109.35 107.59 17.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.651 HD13 HG21 ' A' ' 74' ' ' VAL . 96.6 mt -121.79 122.09 65.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.659 HG22 ' CE2' ' A' ' 87' ' ' TYR . 24.2 t -99.66 127.89 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.0 -168.64 33.39 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.525 1.141 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.62 38.66 29.18 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 1.6 tptp -110.97 141.1 44.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.355 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -76.02 131.64 39.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.5 HG23 ' HD2' ' A' ' 43' ' ' PRO . 9.4 mt -92.95 140.21 23.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 128.07 11.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.07 -41.54 2.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.439 1.087 . . . . 0.0 111.045 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.74 143.67 46.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 0.805 . . . . 0.0 109.596 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.69 93.48 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.27 68.92 0.79 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.56 145.89 39.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 6.2 pt -108.14 167.34 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.596 1.185 . . . . 0.0 109.227 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.62 -150.48 6.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -137.49 146.5 44.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -150.81 151.51 32.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.551 1.157 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.568 HD12 ' HB2' ' A' ' 72' ' ' MET . 7.7 mt -66.34 117.51 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.38 -52.03 10.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 28.7 tptt -158.58 125.23 4.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.852 HD12 ' HG3' ' A' ' 70' ' ' GLU . 3.6 mt -74.62 97.92 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' ILE . 1.4 mp -40.5 152.68 0.23 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 60' ' ' GLY . 18.3 Cg_endo -74.96 150.46 38.37 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.553 1.817 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 38.45 30.48 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.434 1.084 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 58' ' ' PRO . . . -89.65 179.3 44.47 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.44 ' HB3' HG22 ' A' ' 18' ' ' ILE . 52.9 m -70.85 -26.0 63.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 0.809 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.455 ' HB2' HD12 ' A' ' 34' ' ' ILE . . . -77.99 -52.74 8.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -58.07 -20.08 36.81 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.593 1.183 . . . . 0.0 110.363 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.71 -58.6 7.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.421 1.076 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 65' ' ' THR . 81.4 p -39.35 -50.84 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.13 -32.11 5.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -74.38 -39.54 62.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 0.785 . . . . 0.0 109.358 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.19 139.79 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mtt -137.86 133.15 33.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.958 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.852 ' HG3' HD12 ' A' ' 56' ' ' ILE . 4.7 mp0 -53.45 148.56 8.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.72 5.86 83.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.147 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.568 ' HB2' HD12 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -84.76 117.68 23.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.957 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.472 ' NE2' HD13 ' A' ' 42' ' ' ILE . 19.9 tt0 -67.74 123.58 20.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.597 1.186 . . . . 0.0 110.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.651 HG21 HD13 ' A' ' 36' ' ' ILE . 39.4 t -87.59 109.59 19.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 23.5 mt -72.38 -54.66 8.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -141.32 159.54 42.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.352 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.678 ' CD2' HG23 ' A' ' 94' ' ' ILE . 34.9 t-105 -134.37 104.14 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 108.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 66.27 29.63 9.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.13 -54.86 0.68 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.491 HG22 HD13 ' A' ' 93' ' ' ILE . 3.4 mp -56.31 119.9 31.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.282 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 150.25 38.23 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.544 1.813 . . . . 0.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.708 HD13 HG13 ' A' ' 90' ' ' VAL . 84.6 mt -114.07 34.01 4.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 26.4 m -107.92 126.13 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.431 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.55 42.58 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 110.035 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -126.95 -156.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.48 ' O ' HG23 ' A' ' 90' ' ' VAL . 29.5 p -134.0 153.17 51.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 110.361 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.659 ' CE2' HG22 ' A' ' 37' ' ' VAL . 4.2 t80 -40.79 -52.38 3.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.394 1.059 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -59.66 -66.17 0.56 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.179 . . . . 0.0 110.327 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -39.86 -60.95 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.708 HG13 HD13 ' A' ' 82' ' ' LEU . 87.3 t -43.11 -64.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -37.55 -64.23 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.361 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.35 -54.43 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.515 HG21 HD21 ' A' ' 82' ' ' LEU . 33.4 mt -51.14 -41.42 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.364 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.678 HG23 ' CD2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -76.84 -62.68 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.3 OUTLIER -52.86 162.36 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.984 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 70.57 70.95 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.398 1.062 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -173.45 76.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.281 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -96.35 74.08 2.87 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 175.63 45.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 3.7 tt0 68.24 148.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 0.79 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -150.42 162.1 41.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.71 134.66 49.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.452 HG21 HD11 ' A' ' 18' ' ' ILE . 3.6 tt -121.03 128.82 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.248 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 50.3 t -107.98 103.07 12.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.331 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.6 m -114.97 159.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.698 ' CZ ' HD22 ' A' ' 109' ' ' LEU . 12.4 ttp85 -95.58 135.97 36.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' ASP . 20.9 mt -67.72 -96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -48.46 175.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.132 . . . . 0.0 109.306 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.698 HD22 ' CZ ' ' A' ' 106' ' ' ARG . 7.7 tt 59.48 156.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 109.242 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.558 ' N ' HD23 ' A' ' 109' ' ' LEU . 4.3 m-80 -154.41 163.87 39.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.76 144.03 26.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.949 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.49 -66.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.076 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 117.43 -145.18 18.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.91 -55.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.437 1.756 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.4 m -47.86 104.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 109.986 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.0 t -131.97 90.87 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m -126.73 118.67 25.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.036 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.15 111.02 22.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.81 -170.5 0.09 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t 70.4 112.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 0.803 . . . . 0.0 110.001 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.48 128.56 55.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.47 113.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -166.85 127.19 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.618 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.713 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 2.4 m-85 -56.84 177.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.95 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 pt -85.77 -19.86 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.713 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 28.0 p90 -103.53 161.52 22.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.758 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.7 Cg_endo -74.93 120.16 5.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.457 1.767 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -136.4 -173.05 3.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.605 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.49 125.81 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.453 1.096 . . . . 0.0 109.394 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -92.23 86.83 5.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.492 ' CD1' ' CB ' ' A' ' 67' ' ' LYS . 85.1 mt -85.95 147.34 5.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.3 161.23 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.583 1.177 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.682 HD11 ' CG2' ' A' ' 103' ' ' ILE . 12.9 mm -119.69 115.72 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.647 HG22 ' HG2' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -113.71 127.05 55.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -56.66 115.33 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 22' ' ' SER . 42.6 t0 -52.66 -49.54 65.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 21' ' ' ASP . 0.9 OUTLIER 163.48 -84.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -117.21 -68.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 49.37 86.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.584 1.177 . . . . 0.0 109.334 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 72.72 -87.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.563 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.6 p -47.95 120.19 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 28' ' ' SER . 1.0 OUTLIER -82.83 -45.85 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.434 ' N ' ' CG1' ' A' ' 27' ' ' VAL . 0.6 OUTLIER -143.72 122.02 12.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.005 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.08 141.44 11.24 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.426 1.079 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.67 91.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 0.797 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.3 -49.93 0.95 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mp -62.63 111.02 1.9 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.97 83.49 0.69 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.619 HD12 ' CB ' ' A' ' 62' ' ' ALA . 6.2 tt -144.94 132.58 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -117.27 105.19 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.239 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.552 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 54.3 mt -113.05 132.26 62.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.496 HG22 ' CE2' ' A' ' 87' ' ' TYR . 4.1 t -107.5 124.53 63.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.89 151.42 18.47 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.568 1.167 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.59 8.65 54.35 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -87.99 136.57 32.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -73.48 125.42 27.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.6 mt -77.71 135.42 64.11 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' CD ' ' HG2' ' A' ' 111' ' ' MET . 18.3 Cg_endo -75.0 66.53 6.02 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.0 79.59 0.3 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.22 43.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.657 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 45.11 58.91 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.072 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 44.27 67.86 1.01 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.461 1.1 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -128.84 141.49 51.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.4 pt -86.78 175.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 177.85 -159.37 25.11 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.552 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -125.56 148.41 48.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.783 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -152.18 148.74 27.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.756 HD11 HD12 ' A' ' 68' ' ' LEU . 40.8 mt -57.25 113.82 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.2 -54.16 4.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -134.72 144.46 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 69' ' ' MET . 2.5 mt -119.73 107.36 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -40.96 151.05 0.28 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 99.63 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.58 45.25 90.55 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.51 -147.22 17.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.594 0.82 . . . . 0.0 111.064 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 m -80.67 -36.4 32.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.619 ' CB ' HD12 ' A' ' 34' ' ' ILE . . . -76.55 -57.32 3.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -51.71 -25.18 6.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -58.84 6.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 80.9 p -41.58 -59.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.418 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.75 -52.25 0.65 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.558 1.161 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' CB ' ' CD1' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.24 -29.83 64.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.576 0.81 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.756 HD12 HD11 ' A' ' 53' ' ' ILE . 2.9 mm? -73.89 126.52 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.457 ' HG3' ' N ' ' A' ' 70' ' ' GLU . 2.0 ttp -151.62 152.4 32.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 69' ' ' MET . 1.4 mt-10 -55.33 150.85 10.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.75 -5.53 84.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.1 mmm -82.86 125.28 31.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.76 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.548 ' NE2' HD23 ' A' ' 75' ' ' LEU . 11.5 tm0? -69.76 146.67 51.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.439 1.087 . . . . 0.0 110.264 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.595 ' CG1' HD12 ' A' ' 82' ' ' LEU . 93.7 t -115.53 110.08 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.548 HD23 ' NE2' ' A' ' 73' ' ' GLN . 16.3 mt -81.73 -56.93 3.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 26.7 mt-10 -138.15 150.49 46.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.723 ' CE2' HG23 ' A' ' 94' ' ' ILE . 16.2 t-105 -129.15 107.26 9.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 102' ' ' GLU . 1.2 m-20 69.82 29.73 3.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.72 -47.05 1.57 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 80' ' ' ILE . 4.5 mp -64.38 127.7 92.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 18.3 Cg_endo -75.03 154.55 42.41 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.468 1.773 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.736 HD22 HG13 ' A' ' 90' ' ' VAL . 74.0 mt -120.65 33.09 5.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -109.29 140.33 43.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 110.419 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 t 67.9 32.18 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.033 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -121.03 -164.35 1.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 77.4 p -131.87 156.66 45.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 110.437 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.496 ' CE2' HG22 ' A' ' 37' ' ' VAL . 8.3 t80 -38.63 -62.87 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -48.21 -69.62 0.12 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 90' ' ' VAL . 26.5 mt-10 -38.84 -67.38 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.284 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.736 HG13 HD22 ' A' ' 82' ' ' LEU . 72.0 t -40.08 -63.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.7 OUTLIER -39.38 -62.11 0.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -54.32 3.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 80' ' ' ILE . 32.3 mt -50.48 -38.39 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.128 . . . . 0.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.723 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -80.75 -61.5 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.431 1.082 . . . . 0.0 109.317 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -37.33 -47.23 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -68.0 112.75 5.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.423 ' OE1' ' ND2' ' A' ' 78' ' ' ASN . 55.5 tp60 -179.08 148.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 110.3 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.84 80.4 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . 132.63 51.58 0.09 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.647 ' HG2' HG22 ' A' ' 19' ' ' THR . 3.3 mp0 60.27 145.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 0.801 . . . . 0.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -135.2 166.54 22.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.1 mt-10 -109.75 136.08 49.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.682 ' CG2' HD11 ' A' ' 18' ' ' ILE . 14.3 tt -118.97 131.04 72.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.8 t -106.96 115.03 29.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 108.287 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.614 HG11 HD13 ' A' ' 68' ' ' LEU . 27.6 m -113.17 159.93 12.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.554 ' HD2' HD12 ' A' ' 109' ' ' LEU . 34.9 ttm180 -110.24 104.75 13.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.758 HD12 ' HB2' ' A' ' 12' ' ' PRO . 14.7 mt -40.48 -71.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.35 -169.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 110' ' ' ASN . 0.4 OUTLIER 65.07 -83.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.17 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.735 ' N ' HD13 ' A' ' 109' ' ' LEU . 4.0 m120 61.59 143.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.403 ' HG2' ' CD ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -98.22 89.58 4.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 111.056 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.7 m 63.25 108.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 109.99 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -87.1 -144.87 8.97 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.064 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 96.64 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 78.0 p -100.25 154.17 18.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.049 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.4 t -76.14 152.72 36.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.983 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -121.67 116.77 25.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 0.0 110.034 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.37 -82.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.89 83.59 0.07 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -40.76 133.38 2.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 110.022 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.0 m -102.21 89.78 3.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.64 -161.41 31.15 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.451 1.094 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -106.23 -78.47 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 0.0 109.666 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.616 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -119.6 173.34 7.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.7 pt -59.23 -36.17 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.616 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 4.6 p90 -92.33 161.66 32.11 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 110.993 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.4 Cg_endo -75.05 138.54 23.03 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.22 169.06 18.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.616 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.05 108.4 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 98.09 9.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 mm -127.68 154.1 37.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.458 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -111.06 127.39 55.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.233 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.2 mt -88.14 117.95 32.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.82 133.25 51.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.1 ttp85 -71.49 114.65 9.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 110.278 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -63.21 128.42 35.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 50.28 74.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 90.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.34 143.84 30.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -74.0 96.26 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.615 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.7 m -136.56 147.46 47.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.436 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.8 t -59.48 146.39 9.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -39.64 110.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.051 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.37 -103.36 0.42 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -116.79 158.43 23.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 0.793 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.19 166.87 33.57 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.48 1.112 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 99' ' ' GLY . 1.0 OUTLIER 71.18 -62.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 0.805 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.462 ' CA ' ' HG ' ' A' ' 57' ' ' LEU . . . 79.3 69.55 1.39 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.565 HD12 ' CB ' ' A' ' 62' ' ' ALA . 2.7 tt -151.74 128.5 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.345 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.06 117.49 31.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -119.93 129.92 74.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.5 121.5 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.69 -177.22 39.8 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 46.21 57.06 6.57 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.4 138.78 51.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 0.728 . . . . 0.0 109.355 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -62.54 133.52 55.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.508 HD13 HE22 ' A' ' 73' ' ' GLN . 18.2 mt -93.66 139.97 22.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.92 -63.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.54 1.811 . . . . 0.0 111.026 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -40.61 -51.96 3.81 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -70.08 168.85 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.636 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -53.02 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -152.09 92.6 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -161.45 139.44 9.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 110.325 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.1 pt -96.8 139.46 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.96 -159.5 8.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.541 1.151 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.26 144.93 51.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 0.803 . . . . 0.0 109.37 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -146.86 151.99 37.97 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 0.0 111.058 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.6 mt -71.91 108.15 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.27 -55.58 31.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' C ' ' CD ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -157.17 175.53 13.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.0 mt -115.26 152.17 16.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.462 ' HG ' ' CA ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -81.97 154.14 70.01 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 102.32 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.529 1.805 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.08 43.98 37.84 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.47 -173.93 35.43 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.9 m -71.05 -39.95 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 110.044 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.565 ' CB ' HD12 ' A' ' 34' ' ' ILE . . . -65.47 -36.29 83.43 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.525 1.14 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -30.74 64.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.7 -56.07 26.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 68.4 p -39.9 -59.88 1.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 110.382 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.22 -11.2 72.71 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.164 . . . . 0.0 111.056 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 -28.07 21.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.32 157.42 34.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mtt -147.88 147.85 30.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.95 151.51 47.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.78 32.79 74.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.558 1.161 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.64 138.59 40.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.784 . . . . 0.0 110.98 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.508 HE22 HD13 ' A' ' 42' ' ' ILE . 53.2 tt0 -86.09 122.36 30.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.98 118.98 37.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.3 mt -74.32 -51.8 14.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -145.38 162.08 38.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.348 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.714 ' CD2' HG22 ' A' ' 94' ' ' ILE . 1.4 t-105 -135.62 115.54 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 58.1 30.19 18.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.69 -47.42 1.55 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.671 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.2 mp -58.27 125.29 74.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.577 0.81 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.47 32.6 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.586 1.835 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.712 HD13 HG13 ' A' ' 90' ' ' VAL . 58.3 mt -115.46 24.75 11.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.6 m -103.15 138.5 39.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.9 t 66.83 30.52 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.031 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -114.48 -154.65 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 p -139.31 152.03 46.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.363 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -37.24 -60.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -48.04 -67.86 0.24 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' VAL . 17.6 mt-10 -38.51 -71.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.712 HG13 HD13 ' A' ' 82' ' ' LEU . 59.9 t -39.51 -46.39 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.598 1.186 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.517 ' HA ' HD11 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -62.8 -50.96 68.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.1 t -57.63 -29.67 64.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.028 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 74.9 mt -76.61 -59.92 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.714 HG22 ' CD2' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -58.74 -31.81 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 91' ' ' GLN . 30.9 t -66.75 151.79 46.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.011 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 66.01 -160.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 75.5 43.32 0.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.16 -171.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.474 ' O ' HD13 ' A' ' 32' ' ' LEU . . . -66.74 -82.89 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 111.062 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 100' ' ' GLU . 0.7 OUTLIER -44.87 164.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.322 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.484 ' HB1' ' CZ2' ' A' ' 77' ' ' TRP . . . -173.54 162.41 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -113.05 136.54 52.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.649 HD12 ' CE3' ' A' ' 77' ' ' TRP . 4.3 tt -127.39 144.08 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 51.2 t -124.21 97.52 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 108.341 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.508 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -111.42 163.91 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.508 ' N ' ' CG2' ' A' ' 105' ' ' VAL . 56.0 ttt180 -92.74 150.64 20.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 107' ' ' LEU . 13.1 mt -75.4 -77.44 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.57 92.87 1.54 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.59 124.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -117.92 155.39 30.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.384 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.82 110.91 4.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.65 161.7 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.52 -173.24 36.91 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.545 1.153 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.39 4.27 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.559 1.821 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.9 m -106.67 111.08 23.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.977 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.38 114.07 1.02 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -72.62 -58.99 2.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.79 . . . . 0.0 110.044 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 t -113.6 -55.52 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.164 . . . . 0.0 110.042 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.4 150.19 7.36 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.63 164.78 11.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.42 139.92 21.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.962 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.06 177.61 53.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -159.66 132.68 6.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.591 0.818 . . . . 0.0 109.52 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.628 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 1.7 m-85 -63.56 165.02 8.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 111.046 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.5 pt -69.52 -26.03 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.083 . . . . 0.0 109.338 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.628 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 46.6 p90 -99.34 162.19 22.14 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.625 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.3 Cg_endo -74.97 117.65 4.99 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.413 ' ND1' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -141.28 173.62 11.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.569 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.83 143.62 25.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -110.79 101.22 9.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.107 . . . . 0.0 110.315 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 16' ' ' ILE . 3.9 mp -117.35 109.34 27.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.492 ' HD3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -84.66 128.84 34.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 61' ' ' SER . 3.5 mt -76.95 120.81 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.757 HG22 ' HG2' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -105.26 135.17 47.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.419 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.51 139.27 41.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.16 170.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.26 101.37 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.536 1.148 . . . . 0.0 109.959 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -116.7 157.74 24.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.27 151.26 0.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -64.56 -67.04 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.68 HG23 HG23 ' A' ' 27' ' ' VAL . 11.7 t -101.3 157.59 16.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.578 1.174 . . . . 0.0 110.372 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.68 HG23 HG23 ' A' ' 26' ' ' THR . 13.9 t 69.64 -69.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 26' ' ' THR . 32.9 t 66.2 -72.82 0.08 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.436 1.085 . . . . 0.0 110.012 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 27' ' ' VAL . . . 65.85 92.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -171.61 -46.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.88 124.07 0.03 OUTLIER Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.448 HD12 ' HG3' ' A' ' 97' ' ' GLN . 1.2 mp -47.54 -71.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.25 84.06 0.51 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.427 HG21 ' CH2' ' A' ' 77' ' ' TRP . 2.9 tt -156.66 127.28 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.454 0.737 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.82 112.78 24.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.595 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 67.8 mt -120.4 128.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.58 HG22 ' CE2' ' A' ' 87' ' ' TYR . 26.0 t -100.08 117.44 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.52 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -89.62 -171.96 45.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.553 1.158 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.24 18.43 9.62 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.553 ' HG2' ' CE1' ' A' ' 52' ' ' TYR . 22.1 tptm -89.87 145.87 24.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.747 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.616 ' HG2' ' HE2' ' A' ' 45' ' ' HIS . 3.7 tt0 -75.1 127.76 33.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.722 HG23 ' HD2' ' A' ' 43' ' ' PRO . 13.7 mt -72.12 142.4 84.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.722 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.02 57.56 4.62 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.008 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.84 92.6 0.71 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.382 1.051 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.616 ' HE2' ' HG2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -156.41 -179.42 8.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 0.794 . . . . 0.0 109.59 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -106.84 54.11 0.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.025 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.84 72.56 0.99 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.084 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.885 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -137.59 -153.42 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 0.729 . . . . 0.0 110.295 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.885 HG23 ' O ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -176.77 128.63 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.72 -169.27 12.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.595 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -119.52 148.91 42.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.553 ' CE1' ' HG2' ' A' ' 40' ' ' LYS . 28.5 p90 -141.56 155.98 45.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.622 HD12 ' HB2' ' A' ' 72' ' ' MET . 31.0 mt -67.83 116.96 8.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.411 1.069 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.64 -53.51 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -154.03 136.8 15.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' LEU . 3.4 mt -78.18 90.55 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.748 HD13 ' HD2' ' A' ' 58' ' ' PRO . 0.9 OUTLIER -38.25 142.62 0.46 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.748 ' HD2' HD13 ' A' ' 57' ' ' LEU . 18.4 Cg_endo -75.07 99.69 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -147.03 -62.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.05 5.39 8.9 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 18' ' ' ILE . 1.4 m -82.47 -54.71 4.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.36 -16.81 19.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -79.55 -18.36 51.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' THR . 0.6 OUTLIER -75.95 -51.77 11.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' GLN . 38.6 p -37.7 -53.21 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 110.354 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.1 -40.19 3.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.163 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.27 -15.22 32.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 0.734 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -86.62 145.59 26.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.2 mtm -153.66 147.23 25.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -62.88 149.06 45.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.26 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.98 -9.87 70.59 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.459 1.099 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.622 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.5 mmt -62.64 119.79 9.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 0.787 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.35 101.42 0.74 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 110.374 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.544 HG21 HD13 ' A' ' 36' ' ' ILE . 99.5 t -72.31 110.74 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.357 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.49 -54.38 7.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 17.4 mt-10 -140.35 159.77 41.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.722 ' HE3' HD13 ' A' ' 103' ' ' ILE . 30.5 t-105 -140.08 118.0 11.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.436 ' O ' HD12 ' A' ' 80' ' ' ILE . 4.4 m-80 60.13 29.68 19.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.52 -42.96 2.38 Favored Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.651 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.2 mp -67.98 127.17 93.32 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.413 0.714 . . . . 0.0 109.215 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.449 ' O ' HD23 ' A' ' 82' ' ' LEU . 18.0 Cg_endo -75.1 156.67 42.56 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.676 HD13 HG13 ' A' ' 90' ' ' VAL . 75.8 mt -122.83 34.83 5.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 23.3 m -104.81 139.35 39.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.494 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.82 39.1 8.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 109.988 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -125.05 -172.31 2.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 87' ' ' TYR . 23.7 p -126.78 153.43 45.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.415 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.58 ' CE2' HG22 ' A' ' 37' ' ' VAL . 14.9 t80 -37.06 -54.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.063 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.5 OUTLIER -54.12 -72.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.565 1.166 . . . . 0.0 110.342 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 88' ' ' GLU . 20.7 mt-10 -37.73 -65.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.676 HG13 HD13 ' A' ' 82' ' ' LEU . 75.7 t -40.46 -60.77 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 109.34 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -45.32 -43.03 10.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.51 -35.36 77.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.531 HD13 HG22 ' A' ' 80' ' ' ILE . 59.6 mt -70.89 -36.97 66.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.608 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -81.92 -69.91 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.369 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 91' ' ' GLN . 80.5 p -40.92 158.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 72.72 66.24 0.12 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.448 ' HG3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -127.35 167.33 16.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 98.6 p -156.95 99.86 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.81 -147.51 16.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.757 ' HG2' HG22 ' A' ' 19' ' ' THR . 0.2 OUTLIER -61.44 -175.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.35 122.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.2 142.34 38.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.722 HD13 ' HE3' ' A' ' 77' ' ' TRP . 2.7 tp -138.69 153.62 25.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.649 ' H ' HD12 ' A' ' 103' ' ' ILE . 38.7 t -133.65 125.55 28.95 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.448 1.092 . . . . 0.0 108.373 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.3 m -135.92 146.48 29.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.5 ttm180 -91.19 122.6 33.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 1.174 . . . . 0.0 110.308 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 12' ' ' PRO . 29.6 mt -46.34 -64.55 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 1.058 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -71.83 175.34 5.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.45 ' CD2' ' HG2' ' A' ' 43' ' ' PRO . 0.2 OUTLIER 63.89 137.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -154.65 131.12 10.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 8.0 mtt -75.22 118.62 18.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.423 1.077 . . . . 0.0 110.944 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.09 115.04 0.55 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.997 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.54 142.48 19.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 164.68 32.88 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.68 140.59 33.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.5 m -116.36 119.1 34.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 110.032 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.11 160.22 7.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 0.797 . . . . 0.0 110.039 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -96.47 156.36 16.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.89 145.74 4.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -69.3 -56.51 7.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.754 . . . . 0.0 109.986 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t 59.56 92.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.046 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.8 125.05 7.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.147 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -155.52 136.16 13.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.773 . . . . 0.0 109.582 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.753 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 7.0 m-85 -76.5 177.97 6.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.3 pt -79.78 -14.3 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.753 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 35.9 p90 -111.66 161.79 23.98 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.806 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.3 Cg_endo -75.02 117.68 4.99 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.27 167.94 20.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.595 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.75 139.26 23.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -106.85 100.5 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mp -113.31 109.63 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.395 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 132.66 34.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.451 ' CG2' ' HB3' ' A' ' 61' ' ' SER . 3.4 mt -78.53 120.45 29.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.0 150.47 27.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -76.84 -51.34 11.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.76 -83.36 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t 56.12 91.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.03 -73.52 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -51.2 121.51 6.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.95 80.25 2.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 109.611 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.6 p -132.35 87.14 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.3 t -114.21 129.77 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.0 p -152.83 -62.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.003 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.47 100.23 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.482 1.114 . . . . 0.0 111.064 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -158.44 -51.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 0.79 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.2 -168.79 47.48 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.499 1.125 . . . . 0.0 110.98 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mp -75.93 152.4 37.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -155.81 100.58 0.2 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.599 1.187 . . . . 0.0 110.993 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.443 HD11 HG12 ' A' ' 53' ' ' ILE . 13.7 tt -148.89 138.52 15.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.503 0.767 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -113.26 105.6 13.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.251 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.456 HG22 ' HB1' ' A' ' 51' ' ' ALA . 96.5 mt -112.11 117.98 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.225 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 32.4 t -90.1 133.99 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.367 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.33 173.01 20.97 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.96 42.89 94.54 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -120.99 134.71 55.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -63.05 131.91 50.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.45 HD11 ' HA3' ' A' ' 50' ' ' GLY . 22.2 mt -92.49 112.36 55.1 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.576 ' O ' HD11 ' A' ' 109' ' ' LEU . 18.1 Cg_endo -75.0 60.35 5.42 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.517 1.798 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -171.5 -42.47 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.428 1.08 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.41 52.63 2.55 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 0.0 109.552 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.27 -79.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.975 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -169.33 55.15 0.2 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -109.87 148.33 31.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 0.782 . . . . 0.0 110.279 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.2 pt -82.86 156.95 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.45 ' HA3' HD11 ' A' ' 42' ' ' ILE . . . -168.17 -167.16 28.42 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.559 1.162 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.549 ' HB3' HD13 ' A' ' 82' ' ' LEU . . . -118.84 145.76 45.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 0.822 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 14.8 p90 -150.27 160.27 43.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.443 HG12 HD11 ' A' ' 34' ' ' ILE . 19.8 mt -66.14 119.24 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.58 -52.56 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 tptm -133.93 142.44 47.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.229 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mt -118.12 106.59 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.343 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mp -40.5 153.26 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' GLY . 18.3 Cg_endo -75.06 140.35 25.19 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' PRO . . . 37.57 50.18 1.84 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.28 -173.76 32.73 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.451 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 17.7 m -74.1 -36.73 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.007 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.27 -42.54 65.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -69.44 -20.64 63.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.04 -53.77 40.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.5 p -38.78 -44.71 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 110.376 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.08 -39.9 3.1 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -16.2 64.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.323 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.85 140.72 29.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.55 156.08 31.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 111.044 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -62.69 150.92 39.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.35 -23.92 19.26 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 mmt -61.11 121.99 13.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -70.55 129.02 38.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.714 HG13 ' CD1' ' A' ' 103' ' ' ILE . 53.6 t -93.7 109.99 22.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.9 mt -71.42 -51.84 21.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.596 1.185 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -145.37 149.63 35.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.663 ' NE1' HG23 ' A' ' 94' ' ' ILE . 68.6 t-105 -122.56 133.18 54.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 108.019 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.856 ' OD1' HD12 ' A' ' 80' ' ' ILE . 17.1 p30 43.82 28.71 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 88.55 -34.45 3.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.856 HD12 ' OD1' ' A' ' 78' ' ' ASN . 13.8 mt -65.56 123.21 83.92 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 98.69 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.572 HD11 HG12 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -82.85 5.71 20.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 28.4 m -77.96 145.85 35.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.407 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.4 t 63.83 31.39 14.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.54 -153.94 0.53 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.7 p -131.3 149.94 52.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -39.8 -43.77 1.49 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.18 -67.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 90' ' ' VAL . 3.6 mt-10 -38.88 -66.62 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.56 HG22 ' HB2' ' A' ' 82' ' ' LEU . 74.3 t -39.7 -63.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.2 OUTLIER -42.02 -64.31 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.3 t -44.08 -43.9 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.968 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.542 HD13 ' CG2' ' A' ' 80' ' ' ILE . 25.7 mt -62.38 -42.04 94.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.663 HG23 ' NE1' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -75.63 -67.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -60.56 83.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.061 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 94' ' ' ILE . 2.5 tt0 -177.19 -47.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -57.17 172.79 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.162 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.97 149.41 17.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.04 -79.15 1.83 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.137 . . . . 0.0 111.001 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.85 149.94 42.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -140.38 145.36 36.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.48 152.29 20.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.714 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.2 tp -148.32 150.66 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.18 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 2.9 t -134.01 109.69 9.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 108.297 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.1 m -117.07 144.61 24.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.412 ' NH2' ' CD1' ' A' ' 11' ' ' PHE . 23.6 ttm180 -87.51 122.8 31.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.806 HD12 ' HB2' ' A' ' 12' ' ' PRO . 33.8 mt -47.77 -61.95 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -71.34 174.17 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 43' ' ' PRO . 0.3 OUTLIER 71.87 172.64 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 t30 174.28 119.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -77.3 138.48 39.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.89 139.36 39.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.052 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.47 -167.51 14.12 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 149.77 37.46 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.7 -16.09 14.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.2 m -163.62 167.89 20.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -176.5 115.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.78 . . . . 0.0 109.98 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.91 159.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.46 -161.45 13.04 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -74.51 171.13 14.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.9 m 62.83 150.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.969 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.51 -149.51 8.11 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -161.97 133.96 5.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 0.749 . . . . 0.0 109.598 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.705 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 4.9 m-85 -67.01 173.52 3.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 111.071 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pt -78.5 -15.75 13.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.705 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 25.8 p90 -108.14 161.9 21.75 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 121.87 6.84 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -140.57 164.05 31.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.606 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' HB1' ' CD1' ' A' ' 16' ' ' ILE . . . -128.65 103.57 7.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HG3' ' NE2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -92.02 89.23 6.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.429 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 3.8 mp -117.53 136.09 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.917 ' HD3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -87.43 137.28 32.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.164 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.411 HD12 ' CB ' ' A' ' 62' ' ' ALA . 36.3 mm -63.9 121.17 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.917 HG23 ' HD3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -114.91 138.57 50.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -96.95 157.15 16.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -97.04 152.54 18.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.45 136.21 2.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.512 1.132 . . . . 0.0 109.972 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' HIS . 7.5 tptt -141.85 -54.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 69.92 -64.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' LYS . 1.6 t-160 -56.97 173.24 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.624 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.6 m 63.53 138.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.3 m -65.96 174.15 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.7 m -100.16 88.05 3.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.49 -132.67 3.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.16 105.63 0.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 0.782 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.49 177.28 16.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.526 1.141 . . . . 0.0 111.059 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp 71.87 145.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -142.32 107.79 0.5 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.418 1.074 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 tt -155.03 127.27 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.37 106.05 16.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 110.243 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.402 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 62.3 mt -118.14 118.42 58.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.3 t -91.67 128.88 43.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.542 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -110.39 138.81 15.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.559 1.162 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.38 5.61 20.91 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 143.65 28.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 109.246 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -75.55 127.67 33.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.35 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.5 mt -71.75 116.73 51.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 60.13 5.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.504 ' HA3' HD11 ' A' ' 109' ' ' LEU . . . -168.41 -49.3 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.91 155.18 40.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 0.0 109.609 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 m -42.52 -40.77 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.12 85.04 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.558 1.161 . . . . 0.0 111.008 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -139.65 142.23 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 85' ' ' LYS . 43.8 pt -90.02 155.84 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.26 -126.85 0.93 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.43 1.082 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -153.61 146.94 24.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.405 ' HA ' ' O ' ' A' ' 72' ' ' MET . 19.9 p90 -146.38 147.62 31.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.774 HD12 ' HB2' ' A' ' 72' ' ' MET . 18.1 mt -67.9 122.23 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -86.74 -51.27 6.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -153.75 145.78 23.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.38 1.05 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LEU . 3.6 mt -91.59 90.29 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.561 HD13 ' HD2' ' A' ' 58' ' ' PRO . 1.0 OUTLIER -39.71 139.12 0.95 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.561 ' HD2' HD13 ' A' ' 57' ' ' LEU . 18.3 Cg_endo -74.97 98.37 1.15 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.21 -60.52 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . 123.61 3.84 8.36 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 19' ' ' THR . 7.3 m -82.78 -54.61 4.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 0.768 . . . . 0.0 110.036 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' CB ' HD12 ' A' ' 18' ' ' ILE . . . -98.04 -24.62 15.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.45 -21.06 62.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -74.61 -54.52 7.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.336 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 64' ' ' GLN . 77.7 p -37.44 -53.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.573 1.171 . . . . 0.0 110.373 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.26 -40.88 3.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.484 1.115 . . . . 0.0 111.064 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -57.21 -19.34 20.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 0.78 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.426 HD11 HG21 ' A' ' 103' ' ' ILE . 2.1 mm? -82.89 131.75 35.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.389 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.2 mmt -140.9 147.94 39.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 111.033 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -64.48 152.9 40.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.413 1.071 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.98 -2.25 70.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.774 ' HB2' HD12 ' A' ' 53' ' ' ILE . 2.7 mmm -72.51 125.57 27.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -72.86 104.72 4.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 110.32 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.501 ' HA ' HG12 ' A' ' 105' ' ' VAL . 53.3 t -72.18 110.33 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.2 mt -77.48 -57.79 3.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 73.0 mt-10 -132.35 157.01 45.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.66 ' CE3' HG12 ' A' ' 103' ' ' ILE . 18.6 t-105 -145.91 113.78 6.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 107.96 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.579 ' O ' HD12 ' A' ' 80' ' ' ILE . 2.2 m120 61.19 33.27 19.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.76 -47.44 3.21 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.436 1.085 . . . . 0.0 111.064 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.669 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.0 mp -66.09 121.81 78.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.411 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -75.02 156.02 42.87 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.596 HD13 HG13 ' A' ' 90' ' ' VAL . 38.5 mt -116.23 35.62 4.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.8 m -109.04 138.36 45.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 t 69.65 32.98 3.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.464 ' O ' HD12 ' A' ' 49' ' ' ILE . 8.0 mmtt -123.93 -158.64 0.82 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.354 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.1 p -143.25 162.55 35.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.461 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -38.85 -60.54 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 3.5 mt-10 -50.81 -71.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 110.228 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -38.79 -66.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.596 HG13 HD13 ' A' ' 82' ' ' LEU . 71.9 t -40.72 -61.11 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -41.5 -63.93 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -41.49 -51.78 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.524 HD13 HG22 ' A' ' 80' ' ' ILE . 36.0 mt -52.84 -40.66 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.6 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -78.63 -63.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.5 OUTLIER -65.04 92.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.975 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 175.79 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.265 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -52.49 176.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.3 t -149.32 151.06 33.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.025 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.73 -176.91 0.97 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.563 1.164 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -39.42 135.75 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 0.721 . . . . 0.0 110.292 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -134.61 179.78 6.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -98.99 155.82 17.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.66 HG12 ' CE3' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -140.22 154.22 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.349 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 35.0 t -150.34 98.51 2.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 108.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' A' ' 74' ' ' VAL . 18.9 m -121.51 161.11 22.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 108' ' ' ASP . 47.1 ttt85 -90.21 132.62 35.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.5 mt -65.37 -61.5 2.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.425 ' O ' ' CD ' ' A' ' 106' ' ' ARG . 9.0 t70 -80.86 161.11 24.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.504 HD11 ' HA3' ' A' ' 44' ' ' GLY . 1.7 tt 70.55 127.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.503 ' N ' HD23 ' A' ' 109' ' ' LEU . 15.9 p30 -139.22 143.13 37.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.24 114.34 26.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.77 -65.74 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.087 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.21 -145.28 30.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 154.52 42.67 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.596 1.84 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 117' ' ' GLY . 51.7 m -138.3 95.79 3.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.919 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.69 -59.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.966 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 115' ' ' SER . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.567 1.167 . . . . 0.0 110.966 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -112.72 144.33 42.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.001 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.36 115.67 24.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.93 121.74 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.556 1.16 . . . . 0.0 111.028 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 m -164.43 114.46 1.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.746 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 m 54.18 82.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.19 64.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.743 ' CG ' ' CE1' ' A' ' 13' ' ' HIS . 3.0 p80 -121.61 -60.04 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 109.63 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.744 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 29.5 m-85 -148.25 176.4 10.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pt -84.66 -9.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.744 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 17.6 p90 -111.65 161.73 24.22 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 120.98 6.29 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.962 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.743 ' CE1' ' CG ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER -132.57 163.27 29.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 109.567 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.77 103.01 6.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.34 95.56 9.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.474 ' CD1' ' HG3' ' A' ' 67' ' ' LYS . 47.0 mt -129.42 138.49 54.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.91 175.91 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.904 HD11 HG21 ' A' ' 103' ' ' ILE . 11.6 mt -130.94 124.68 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.52 149.24 31.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.345 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 tpt85 -97.92 -65.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.351 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 66.34 97.05 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.03 179.92 5.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.08 . . . . 0.0 110.02 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -106.39 -59.78 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -57.69 157.47 7.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -83.33 -63.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.598 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 m -124.44 -57.5 1.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 110.416 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -44.71 138.82 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.01 102.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.061 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -133.51 115.74 1.58 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -80.49 -53.42 6.6 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.523 0.778 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 108.72 169.86 20.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.0 mt -50.07 -50.89 46.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 0.709 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.773 ' HA2' HD12 ' A' ' 57' ' ' LEU . . . 96.66 58.12 1.07 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.593 HD12 ' HB2' ' A' ' 62' ' ' ALA . 18.3 tt -145.11 135.72 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.2 mtt85 -112.05 114.89 28.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.326 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 55.1 mt -121.01 130.56 74.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.2 t -116.58 132.47 66.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.222 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.86 -178.43 34.91 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.456 1.097 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.31 50.65 51.54 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.484 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -121.49 132.89 54.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 0.712 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.41 127.23 30.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.585 HG23 ' HD2' ' A' ' 43' ' ' PRO . 15.5 mt -86.36 140.7 34.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.585 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -75.0 -46.8 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.428 1.752 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.43 -69.24 1.33 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 111.039 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -43.9 164.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.451 0.736 . . . . 0.0 109.526 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -75.64 -43.7 46.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -173.55 83.96 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.532 1.145 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -152.76 149.95 28.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 5.3 pt -98.96 158.04 3.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.76 -159.27 9.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.691 ' HB3' HD13 ' A' ' 82' ' ' LEU . . . -121.63 141.74 50.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 8.0 p90 -150.82 162.12 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.736 HD12 ' HB2' ' A' ' 72' ' ' MET . 26.3 mt -76.15 108.59 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.07 -55.47 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 14.6 tptt -155.53 132.65 10.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.437 1.085 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.561 HG12 HG21 ' A' ' 53' ' ' ILE . 4.1 mt -84.21 112.95 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.773 HD12 ' HA2' ' A' ' 33' ' ' GLY . 8.2 mt -42.02 163.09 0.13 Allowed Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 99.42 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.54 36.44 68.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.96 -155.13 1.62 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.484 ' HB3' ' CG2' ' A' ' 18' ' ' ILE . 18.8 m -79.71 -50.44 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.027 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.768 ' HA ' HD13 ' A' ' 68' ' ' LEU . . . -55.49 -44.4 76.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.28 -30.66 70.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.12 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.44 -57.97 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 77.2 p -42.01 -50.37 4.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.118 . . . . 0.0 110.398 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.3 20.07 21.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.148 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -126.73 -44.04 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.768 HD13 ' HA ' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -61.43 138.28 58.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.39 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -135.08 175.05 9.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -78.33 166.38 22.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 42.05 45.47 4.98 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.736 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.4 mmm -102.45 114.85 29.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 110.991 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -59.73 108.87 0.8 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.584 1.177 . . . . 0.0 110.323 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.637 HG13 HD11 ' A' ' 103' ' ' ILE . 89.6 t -83.57 109.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mt -74.56 -58.21 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -136.03 150.18 49.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.373 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.667 ' HE3' HD13 ' A' ' 103' ' ' ILE . 14.2 t-105 -130.02 125.01 34.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.595 ' O ' HD12 ' A' ' 80' ' ' ILE . 17.3 m-20 53.79 30.47 11.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.226 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.76 -38.68 3.15 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.595 HD12 ' O ' ' A' ' 78' ' ' ASN . 4.8 mp -69.63 125.39 91.95 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 80' ' ' ILE . 18.2 Cg_endo -74.99 140.08 25.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.486 1.782 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.74 ' H ' HD12 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -123.89 21.87 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.8 m -87.51 144.57 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.0 t 60.79 29.64 19.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.056 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.53 ' HB2' HG23 ' A' ' 90' ' ' VAL . 3.4 mttm -111.93 -172.31 2.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.9 p -115.24 154.14 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 110.346 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -37.46 -62.08 0.55 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.7 OUTLIER -48.63 -66.44 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' VAL . 27.1 mt-10 -38.39 -72.69 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.607 HG22 ' HB2' ' A' ' 82' ' ' LEU . 55.7 t -39.91 -61.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.508 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -39.27 -64.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.58 -51.66 3.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.498 HD13 HG22 ' A' ' 80' ' ' ILE . 34.3 mt -53.95 -41.35 49.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.611 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -76.77 -63.47 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.578 1.174 . . . . 0.0 109.361 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.508 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.2 OUTLIER -49.37 171.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.04 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' SER . 2.3 mt-30 74.24 -58.95 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -61.3 81.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 96' ' ' GLN . 49.7 m -78.96 166.46 22.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.919 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.75 -168.17 53.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -52.03 170.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 0.773 . . . . 0.0 110.348 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.02 156.84 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.362 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -95.02 150.63 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 110.299 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.904 HG21 HD11 ' A' ' 18' ' ' ILE . 3.5 tp -139.42 150.77 22.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.419 ' H ' HD12 ' A' ' 103' ' ' ILE . 28.1 m -134.85 102.75 5.35 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 108.309 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.441 HG12 HG22 ' A' ' 74' ' ' VAL . 30.0 m -121.15 151.04 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -83.39 132.07 35.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.6 -58.67 7.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 2.6 m-20 -81.23 152.48 27.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.2 OUTLIER 87.36 137.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.37 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -146.38 146.76 30.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.258 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.0 mtt -99.11 97.84 8.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.75 125.9 4.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -133.39 166.99 23.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 117.66 5.0 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.6 p -136.38 165.41 25.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.973 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.57 166.16 10.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.916 0 O-C-N 124.412 1.07 . . . . 0.0 111.072 -179.942 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.899 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -154.99 -46.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 0.723 . . . . 0.0 109.949 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.34 -87.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.92 87.32 0.1 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 p -156.25 -66.67 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.759 . . . . 0.0 110.05 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 t -47.9 136.43 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 40.1 74.56 0.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 111.051 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -146.5 129.83 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.566 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.666 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 8.1 m-85 -57.93 159.97 5.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -18.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.666 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 18.9 p90 -106.18 161.79 21.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.571 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.4 Cg_endo -74.93 122.46 7.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.444 1.76 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.01 174.15 10.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.625 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.39 131.58 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -95.35 88.75 5.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 17' ' ' LYS . 2.0 mp -92.43 162.36 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.34 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.584 ' O ' HD13 ' A' ' 18' ' ' ILE . 13.0 pttp -112.55 177.95 4.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.584 HD13 ' O ' ' A' ' 17' ' ' LYS . 14.1 mm -139.0 118.48 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.41 154.83 17.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -59.21 147.83 34.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.87 163.79 5.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.52 79.27 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.25 151.46 3.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.38 139.99 11.04 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -112.15 -69.92 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.602 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.2 p -131.86 -49.75 0.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.404 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.0 m -125.73 96.8 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.3 m 69.17 -69.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.31 -144.31 16.75 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.459 1.099 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -48.1 156.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 33' ' ' GLY . . . -127.42 -174.58 13.82 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.48 90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' GLY . . . -71.63 73.98 0.76 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.957 HD12 ' HB2' ' A' ' 62' ' ' ALA . 7.1 tt -139.03 131.55 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.775 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -112.85 104.79 12.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' A' ' 94' ' ' ILE . 22.3 mt -117.44 137.0 52.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.083 HG21 ' CE1' ' A' ' 52' ' ' TYR . 16.1 m -108.8 -170.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.366 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.681 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -168.94 165.15 38.7 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.32 10.71 43.44 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -85.16 132.63 34.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 0.778 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.12 137.69 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.587 HG23 ' HD2' ' A' ' 43' ' ' PRO . 35.2 mt -89.48 140.78 28.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.93 80.87 2.31 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.58 1.831 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.82 82.33 1.63 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -161.95 47.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 0.784 . . . . 0.0 109.604 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 43.96 40.76 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.12 68.58 1.61 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -127.63 139.27 52.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.493 0.76 . . . . 0.0 110.23 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 85' ' ' LYS . 12.8 pt -87.24 139.15 17.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.128 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.18 -164.64 10.79 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -121.61 137.48 54.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.347 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 1.083 ' CE1' HG21 ' A' ' 37' ' ' VAL . 2.9 p90 -143.98 141.41 30.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.459 HG13 ' CG2' ' A' ' 74' ' ' VAL . 28.5 mt -64.31 107.69 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.639 ' HB2' HG13 ' A' ' 37' ' ' VAL . . . -55.71 -56.49 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -157.36 148.49 21.68 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mt -101.91 114.82 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.68 148.52 0.54 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 106.78 2.34 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.4 58.08 13.96 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.04 -154.54 11.66 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.6 m -78.68 -39.57 36.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.033 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.957 ' HB2' HD12 ' A' ' 34' ' ' ILE . . . -66.93 -44.48 80.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -73.04 -22.25 60.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.1 -48.54 81.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.541 HG21 HD13 ' A' ' 18' ' ' ILE . 66.9 p -47.63 -49.42 27.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.67 -47.39 1.08 Allowed Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.429 1.081 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.08 -58.75 7.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 0.817 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.527 HD11 HD13 ' A' ' 103' ' ' ILE . 4.0 mm? -41.31 131.95 2.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.3 mmt -137.82 159.52 41.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.07 156.04 40.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 111' ' ' MET . . . 62.52 32.6 83.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.424 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.7 mmm -105.89 121.1 43.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -70.12 113.74 7.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.251 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.459 ' CG2' HG13 ' A' ' 53' ' ' ILE . 12.8 t -82.35 110.26 17.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.3 mt -65.23 -59.13 4.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -138.41 161.3 37.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.636 ' CE2' HG23 ' A' ' 94' ' ' ILE . 37.4 t-105 -137.78 110.97 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 108.045 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.495 ' O ' HD12 ' A' ' 80' ' ' ILE . 1.7 m-20 68.24 29.49 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.2 -44.26 2.95 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.623 ' H ' HD12 ' A' ' 80' ' ' ILE . 3.8 mp -59.09 127.4 83.79 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.455 0.738 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 80' ' ' ILE . 18.4 Cg_endo -74.94 142.91 28.64 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 1.064 HD22 HG13 ' A' ' 90' ' ' VAL . 66.1 mt -105.99 -34.62 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.22 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.496 ' O ' ' CB ' ' A' ' 84' ' ' SER . 19.7 m -54.28 129.57 35.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 83' ' ' THR . 1.2 t 84.98 31.54 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.512 ' O ' HD12 ' A' ' 49' ' ' ILE . 3.3 mmtt -130.57 -177.37 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.1 p -110.1 142.54 41.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 110.348 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.582 ' CE2' ' HB ' ' A' ' 37' ' ' VAL . 28.3 t80 -38.09 -36.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 111.044 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.92 -66.69 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 90' ' ' VAL . 37.6 mt-10 -41.84 -58.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.064 HG13 HD22 ' A' ' 82' ' ' LEU . 73.1 t -39.89 -61.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.8 OUTLIER -37.75 -63.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.94 -55.12 2.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.612 HD13 HG22 ' A' ' 80' ' ' ILE . 25.8 mt -50.69 -42.33 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.636 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -74.5 -57.27 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.4 OUTLIER -68.49 63.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.983 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -179.41 77.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 110.347 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -139.66 163.17 33.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.08 68.0 0.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 67.94 109.73 0.02 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.442 1.089 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 5.5 tt0 74.73 149.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.332 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -154.43 162.33 41.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.246 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.69 134.94 48.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.527 HD13 HD11 ' A' ' 68' ' ' LEU . 9.0 tt -120.21 152.59 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 42.1 t -136.06 110.88 8.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 108.343 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.47 179.9 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.138 . . . . 0.0 109.256 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.539 ' HD2' HD23 ' A' ' 109' ' ' LEU . 34.8 ttm180 -119.87 115.16 23.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.571 HD12 ' HB2' ' A' ' 12' ' ' PRO . 10.4 mt -45.3 -66.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -74.09 88.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.731 HD13 ' H ' ' A' ' 110' ' ' ASN . 0.2 OUTLIER -176.95 147.72 0.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.731 ' H ' HD13 ' A' ' 109' ' ' LEU . 25.0 t30 -154.81 130.99 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.353 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.439 ' CE ' ' HB3' ' A' ' 52' ' ' TYR . 1.2 mtt -120.89 134.15 55.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.5 m -78.71 139.29 38.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.049 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -117.6 156.5 15.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.519 1.137 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.89 38.64 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.435 1.755 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.4 153.26 50.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 41.6 t -121.56 -59.89 1.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.969 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 178.85 139.14 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 0.754 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.77 104.12 16.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 109.966 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.2 115.36 1.99 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.414 1.071 . . . . 0.0 111.042 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -91.54 124.23 35.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.034 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.3 p -95.44 96.6 9.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.442 1.089 . . . . 0.0 109.939 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.85 94.93 0.5 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -158.49 132.17 7.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 0.719 . . . . 0.0 109.594 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.797 ' CD1' ' CZ ' ' A' ' 11' ' ' PHE . 26.9 m-85 -59.61 168.02 1.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 pt -77.54 -20.26 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.797 ' CZ ' ' CD1' ' A' ' 9' ' ' TYR . 17.3 p90 -101.29 161.48 23.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 119.07 5.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.409 ' ND1' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -129.2 165.59 21.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 109.641 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.91 104.23 7.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 94.68 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.492 HD11 ' HD3' ' A' ' 67' ' ' LYS . 1.8 mp -109.48 162.61 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' N ' ' CG2' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -108.98 171.14 7.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.5 ' O ' ' CG ' ' A' ' 100' ' ' GLU . 4.9 mm -124.12 116.94 49.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.77 142.87 46.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 110.366 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.69 113.47 19.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -93.81 110.49 22.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.98 171.76 6.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.014 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -91.03 166.61 12.91 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -90.77 101.1 13.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.11 79.6 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.675 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.6 p 42.41 -162.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.1 t -107.3 106.46 20.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.27 -55.15 3.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 152.98 -173.73 31.85 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 58.57 94.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.28 104.65 2.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.1 mt 70.02 -69.06 0.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 109.28 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.448 ' CA ' ' HB2' ' A' ' 57' ' ' LEU . . . 109.32 79.29 1.1 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.9 tt -154.89 134.84 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.539 0.787 . . . . 0.0 109.254 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -119.29 106.12 12.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.5 mt -110.08 121.41 62.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.508 HG22 ' CE2' ' A' ' 87' ' ' TYR . 2.9 t -100.12 127.17 53.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -94.99 -165.54 35.53 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' HA2' HD12 ' A' ' 49' ' ' ILE . . . 40.91 47.32 4.1 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' ILE . 14.3 tptt -121.58 136.04 54.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.261 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -58.43 147.82 30.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.4 mt -111.12 119.86 44.63 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 70.7 5.28 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.51 1.795 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 152.55 44.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.574 1.171 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -160.0 156.51 27.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.635 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.02 77.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.52 66.66 1.66 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.483 1.114 . . . . 0.0 111.06 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.95 144.17 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 110.335 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.406 HD12 ' HA2' ' A' ' 39' ' ' GLY . 5.0 pt -101.15 159.62 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.44 -167.27 19.86 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.652 ' HB3' HD13 ' A' ' 82' ' ' LEU . . . -120.12 137.77 53.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -141.45 161.66 37.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.4 mt -69.45 103.31 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.57 -57.35 4.05 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -140.69 145.07 36.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.8 mt -110.43 106.23 20.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.448 ' HB2' ' CA ' ' A' ' 33' ' ' GLY . 2.9 mm? -40.4 150.87 0.26 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.46 36.65 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 40.67 29.73 0.28 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.42 -172.89 49.38 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 64' ' ' GLN . 25.9 m -78.28 -54.8 5.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.995 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.414 ' O ' ' OG1' ' A' ' 65' ' ' THR . . . -57.16 -23.9 50.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -80.67 -17.97 49.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.246 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 65' ' ' THR . 1.9 pt20 -81.41 -44.98 16.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.347 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 64' ' ' GLN . 19.4 p -38.77 -40.0 0.57 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 110.364 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.23 -41.12 3.08 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' HD3' HD11 ' A' ' 16' ' ' ILE . 3.4 mttt -66.49 -64.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 0.782 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' CD1' HD13 ' A' ' 103' ' ' ILE . 3.0 mm? -41.02 126.53 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.0 mmm -138.08 141.52 40.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.35 143.42 18.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.73 -29.17 8.82 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.533 1.145 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.4 mmm -52.88 139.59 26.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 0.789 . . . . 0.0 111.053 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.628 ' OE1' HD13 ' A' ' 109' ' ' LEU . 41.8 tt0 -86.42 127.09 34.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -100.27 109.66 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 106' ' ' ARG . 2.2 mt -70.03 -53.94 15.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -135.72 167.06 21.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.724 ' CE2' HG23 ' A' ' 94' ' ' ILE . 11.2 t-105 -145.6 124.0 12.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.719 ' O ' HD12 ' A' ' 80' ' ' ILE . 3.4 m-20 54.8 33.26 19.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.29 -43.02 3.19 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 78' ' ' ASN . 5.1 mp -67.78 123.33 86.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' O ' ' CE ' ' A' ' 85' ' ' LYS . 18.3 Cg_endo -74.98 142.5 27.99 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.73 ' H ' HD12 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -124.08 19.73 9.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 69.1 m -87.73 142.83 27.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.27 30.15 15.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.555 ' HB2' HG23 ' A' ' 90' ' ' VAL . 2.7 mmtt -112.94 -160.68 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 p -123.71 150.81 43.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.508 ' CE2' HG22 ' A' ' 37' ' ' VAL . 5.9 t80 -39.46 -53.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.98 -64.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' VAL . 48.0 mt-10 -41.92 -67.1 0.28 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.544 1.153 . . . . 0.0 110.342 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.615 HG22 ' HB2' ' A' ' 82' ' ' LEU . 37.8 t -39.91 -58.98 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.379 1.049 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 95' ' ' SER . 0.0 OUTLIER -46.68 -59.11 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -43.43 -42.93 4.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.971 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.706 HD13 HG22 ' A' ' 80' ' ' ILE . 30.0 mt -64.12 -40.83 90.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.724 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -77.77 -68.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.524 ' O ' ' C ' ' A' ' 96' ' ' GLN . 10.4 t 38.84 62.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.97 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.524 ' C ' ' O ' ' A' ' 95' ' ' SER . 1.5 pt20 28.48 63.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -40.37 115.56 0.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 110.265 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.2 143.08 19.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 61.54 -162.13 25.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.029 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 18' ' ' ILE . 3.3 tt0 -54.82 148.97 12.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -148.62 119.02 7.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -76.33 135.87 39.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.52 ' HB ' ' CZ3' ' A' ' 77' ' ' TRP . 2.3 tt -121.73 137.7 54.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 81.4 m -116.49 106.65 13.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 108.274 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.496 ' CG2' ' N ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -122.34 163.23 21.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 109.343 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.504 ' HB2' HD11 ' A' ' 75' ' ' LEU . 67.6 ttt180 -98.04 149.16 22.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.4 mt -78.37 -69.91 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -66.39 -176.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.628 HD13 ' OE1' ' A' ' 73' ' ' GLN . 4.7 tt 71.35 -79.54 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 0.0 109.211 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' MET . 37.6 t-20 43.75 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' ASN . 3.5 mtt -37.32 -40.96 0.38 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.567 1.167 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.6 t 50.93 99.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 110.034 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -113.44 -167.89 16.71 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.526 1.141 . . . . 0.0 110.995 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 177.28 8.8 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.783 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 41.3 t -155.49 -58.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.024 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.18 168.44 19.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.978 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.128 . . . . 0.0 111.01 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.7 -58.62 0.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 110.013 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.4 168.57 9.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.98 -145.72 15.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.499 1.125 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -143.0 162.78 34.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 0.789 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.55 163.02 34.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.54 147.99 7.77 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.147 . . . . 0.0 110.999 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -165.2 -81.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.738 . . . . 0.0 109.523 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.74 ' CD1' ' CZ ' ' A' ' 11' ' ' PHE . 2.2 m-85 -111.68 145.87 38.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.6 pt -56.83 -27.17 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.74 ' CZ ' ' CD1' ' A' ' 9' ' ' TYR . 4.5 p90 -111.31 160.94 27.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.613 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.4 Cg_endo -75.01 119.63 5.73 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.541 1.811 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.47 169.47 17.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.628 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.62 135.69 30.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -107.92 91.44 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.59 HD11 ' HD3' ' A' ' 67' ' ' LYS . 2.4 mp -103.47 156.1 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -104.4 162.86 12.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.319 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 100' ' ' GLU . 7.7 mt -129.28 123.16 57.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.443 HG22 ' HG2' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -107.65 141.4 39.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -62.94 -62.75 1.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t70 53.18 88.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 p -127.12 156.16 42.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.01 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.7 102.71 9.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 55.84 98.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.085 . . . . 0.0 109.329 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -172.51 123.81 0.47 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.482 1.114 . . . . 0.0 109.617 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 27' ' ' VAL . 4.5 t -55.59 179.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.435 ' N ' ' OG1' ' A' ' 26' ' ' THR . 0.2 OUTLIER -121.42 103.92 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 t -164.95 81.72 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' GLY . . . 83.17 -145.69 23.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 70.4 -63.6 0.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 0.723 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' GLY . . . 74.04 -137.9 23.75 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.759 HD11 ' O ' ' A' ' 99' ' ' GLY . 2.3 mm? -84.84 -56.14 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.225 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.84 41.51 0.37 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 tt -135.96 131.13 49.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.408 0.71 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.566 ' HG3' HD13 ' A' ' 57' ' ' LEU . 4.6 mtt180 -101.44 105.24 16.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.513 ' HB ' HG21 ' A' ' 94' ' ' ILE . 67.5 mt -108.4 120.25 59.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.986 HG21 ' CE1' ' A' ' 52' ' ' TYR . 4.5 m -73.93 -156.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.673 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . 170.7 155.88 10.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 70.89 4.86 56.22 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.53 131.97 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.777 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -41.23 151.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.573 1.171 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.501 HD11 ' HA3' ' A' ' 50' ' ' GLY . 42.6 mt -113.09 140.28 24.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.96 137.76 22.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.454 1.765 . . . . 0.0 110.987 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.46 -53.49 3.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.41 ' ND1' HG22 ' A' ' 42' ' ' ILE . 45.2 m80 -40.15 144.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.61 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -75.9 92.68 3.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.48 76.8 0.07 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.148 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -143.85 148.78 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' ' 83' ' ' THR . 15.4 pt -106.5 144.66 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.405 1.065 . . . . 0.0 109.24 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.501 ' HA3' HD11 ' A' ' 42' ' ' ILE . . . -149.96 -157.49 7.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 110.998 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 74' ' ' VAL . . . -129.85 137.32 50.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.986 ' CE1' HG21 ' A' ' 37' ' ' VAL . 14.2 p90 -132.28 142.81 49.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.839 HD12 ' HB2' ' A' ' 72' ' ' MET . 65.3 mt -55.03 109.47 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.695 ' HB2' HG13 ' A' ' 37' ' ' VAL . . . -71.17 -55.92 7.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 15.4 tptt -164.77 129.43 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.431 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 3.6 mt -76.09 81.14 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.364 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.566 HD13 ' HG3' ' A' ' 35' ' ' ARG . 1.4 mp -40.18 152.81 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 96.25 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -134.06 -57.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . 113.86 3.94 23.1 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.72 -54.44 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.965 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.33 -29.48 13.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.344 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -66.14 -18.56 65.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 110.218 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 65' ' ' THR . 1.1 mt-30 -80.1 -54.23 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 65' ' ' THR . 80.1 p -37.07 -48.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.52 -39.92 3.09 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.521 1.138 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.59 ' HD3' HD11 ' A' ' 16' ' ' ILE . 3.8 tttp -59.75 -19.04 47.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.224 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.628 HD11 HG21 ' A' ' 103' ' ' ILE . 1.2 mm? -90.86 121.96 33.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.375 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 6.8 mtp -138.52 136.27 35.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -46.68 157.42 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 81.09 -5.13 67.66 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.839 ' HB2' HD12 ' A' ' 53' ' ' ILE . 1.9 mmm -81.86 127.44 33.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 0.716 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.689 ' HB3' HD13 ' A' ' 109' ' ' LEU . 23.2 tt0 -79.2 109.3 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 51' ' ' ALA . 3.5 t -71.45 120.79 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.7 mt -77.22 -54.08 6.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -143.0 157.95 44.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.436 1.085 . . . . 0.0 110.383 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.729 ' CZ3' HD12 ' A' ' 103' ' ' ILE . 69.2 t-105 -133.95 134.02 42.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 108.06 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.926 ' OD1' HD12 ' A' ' 80' ' ' ILE . 17.9 p30 43.62 28.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 89.24 -34.8 3.85 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.926 HD12 ' OD1' ' A' ' 78' ' ' ASN . 8.5 mt -68.73 127.15 93.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.541 0.789 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.06 37.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.478 1.778 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.576 HD22 HG13 ' A' ' 90' ' ' VAL . 13.6 mt -110.96 -25.14 9.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 49' ' ' ILE . 46.1 m -62.69 144.83 55.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.367 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.2 t 70.37 29.72 3.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.413 ' O ' HD12 ' A' ' 49' ' ' ILE . 4.4 mmmt -131.12 -174.31 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.1 p -115.48 144.14 44.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.472 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.59 ' CE2' ' HB ' ' A' ' 37' ' ' VAL . 42.5 t80 -37.49 -54.77 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.45 -56.95 12.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.24 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' N ' ' CD ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -52.67 -58.97 5.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.225 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.7 HG11 ' O ' ' A' ' 37' ' ' VAL . 92.4 t -47.73 -52.03 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.185 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.48 -43.84 8.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.341 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -34.4 76.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.072 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.687 HD13 HG22 ' A' ' 80' ' ' ILE . 66.6 mt -68.24 -33.96 63.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.81 ' N ' HD13 ' A' ' 94' ' ' ILE . 0.4 OUTLIER -85.01 -56.29 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.35 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.22 57.03 0.84 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 110.059 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -178.28 81.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.305 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -136.14 -179.98 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.0 p -127.27 59.12 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.953 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.759 ' O ' HD11 ' A' ' 32' ' ' LEU . . . 98.01 -105.93 3.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.507 1.13 . . . . 0.0 111.048 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.443 ' HG2' HG22 ' A' ' 19' ' ' THR . 0.0 OUTLIER -60.47 -176.05 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 0.742 . . . . 0.0 110.29 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.91 151.27 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -111.89 138.85 47.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.729 HD12 ' CZ3' ' A' ' 77' ' ' TRP . 2.6 tt -124.76 150.77 29.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.365 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 77.2 m -134.61 88.88 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 108.286 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 1.7 m -103.43 156.37 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.252 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.655 ' HD3' HD12 ' A' ' 109' ' ' LEU . 45.6 ttt180 -99.53 133.25 44.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.613 HD12 ' HB2' ' A' ' 12' ' ' PRO . 19.2 mt -57.79 -69.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.43 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -68.99 103.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.689 HD13 ' HB3' ' A' ' 73' ' ' GLN . 2.0 mt 168.16 158.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -174.97 107.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.2 mtt -82.76 114.25 20.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.1 t -60.37 142.05 55.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -144.96 158.08 27.52 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 178.51 7.17 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.58 144.05 25.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 24.5 t -79.35 103.93 9.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.064 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 O-C-N 124.513 1.133 . . . . 0.0 111.031 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 74.47 -66.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.963 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.7 -59.43 2.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.947 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.75 111.04 2.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.75 137.98 24.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.42 99.47 9.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.977 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.59 139.21 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.621 1.201 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.422 ' CE1' ' O ' ' A' ' 9' ' ' TYR . 2.9 t60 -165.52 131.65 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 0.754 . . . . 0.0 109.64 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.615 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 9.9 m-85 -79.02 159.38 27.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.642 HD12 ' N ' ' A' ' 11' ' ' PHE . 2.3 pp -57.46 -44.27 84.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.642 ' N ' HD12 ' A' ' 10' ' ' ILE . 27.4 p90 -77.29 161.4 72.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.8 5.04 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.575 1.829 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.22 163.21 29.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 109.644 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.24 115.93 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 15' ' ' ARG . 10.3 mtp-105 -104.21 85.83 2.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 16' ' ' ILE . 4.9 mp -124.19 123.88 67.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.508 ' HD3' HG23 ' A' ' 19' ' ' THR . 0.0 OUTLIER -82.08 134.65 35.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.24 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.541 HG21 ' OG ' ' A' ' 61' ' ' SER . 4.4 mt -73.59 118.02 18.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.508 HG23 ' HD3' ' A' ' 17' ' ' LYS . 0.1 OUTLIER -100.68 126.12 47.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.417 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.642 ' HG3' HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -92.41 131.56 37.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.327 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.06 159.6 30.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.2 p -122.21 169.62 10.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.947 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.17 101.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 52.98 100.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -175.86 69.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.589 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 m -112.09 129.85 56.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 28' ' ' SER . 30.4 m -125.38 -51.81 2.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.468 ' N ' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -172.2 163.93 5.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.84 -119.33 5.79 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.601 1.188 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -159.88 -46.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 0.79 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.68 -148.56 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.437 1.086 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.642 HD23 ' HG3' ' A' ' 20' ' ' ARG . 6.5 mt -88.55 137.33 32.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.9 70.25 0.59 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.127 . . . . 0.0 111.04 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.506 HD12 ' HB2' ' A' ' 62' ' ' ALA . 8.9 tt -146.39 131.25 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 109.347 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.583 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 6.3 mmm180 -110.58 131.04 55.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.358 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.7 mt -139.18 134.71 41.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.5 t -118.89 120.35 63.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.213 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.36 -179.61 46.69 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.67 49.54 77.43 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -128.27 130.09 47.36 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -58.14 139.33 55.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 9.4 mt -92.75 133.87 28.57 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.92 69.79 5.4 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 111.071 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 167.51 -73.41 0.15 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -39.88 150.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 0.739 . . . . 0.0 109.593 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 m -71.22 98.87 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 109.979 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.18 75.2 0.09 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -139.88 145.55 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.795 . . . . 0.0 110.31 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 85' ' ' LYS . 4.4 pt -100.5 151.4 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -151.12 -156.63 7.47 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 111.014 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -124.29 153.3 41.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -155.43 160.84 40.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.737 HD13 ' CD1' ' A' ' 68' ' ' LEU . 5.7 mt -77.14 112.28 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.583 ' HB3' ' HB3' ' A' ' 35' ' ' ARG . . . -56.14 -53.65 54.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.255 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 6.0 tptm -170.98 125.23 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.356 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.628 HD11 ' CD1' ' A' ' 68' ' ' LEU . 3.4 mt -60.27 109.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' ILE . 0.4 OUTLIER -39.78 153.45 0.19 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.97 102.16 1.55 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.7 34.62 89.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.79 -147.42 18.91 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.541 ' OG ' HG21 ' A' ' 18' ' ' ILE . 40.9 p -81.02 -44.63 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 109.98 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.506 ' HB2' HD12 ' A' ' 34' ' ' ILE . . . -58.27 -43.24 87.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.71 -29.29 63.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.77 -61.37 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.2 p -51.37 -33.07 28.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 54.32 27.13 39.08 Favored Glycine 0 CA--C 1.532 1.122 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.28 -4.74 9.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 0.807 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.737 ' CD1' HD13 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -123.94 162.87 22.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.459 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.8 ptt? -139.58 -179.63 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.08 163.28 26.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 111' ' ' MET . . . 57.78 21.28 43.3 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.569 1.168 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.645 ' HB2' HD12 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -84.82 95.26 8.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 111.031 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.513 ' OE1' HD22 ' A' ' 109' ' ' LEU . 13.5 tt0 -42.38 110.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.9 t -81.27 110.2 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 104' ' ' CYS . 5.9 mt -71.24 -56.62 5.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -138.75 152.12 47.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.27 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.624 ' CE2' HG23 ' A' ' 94' ' ' ILE . 34.4 t-105 -132.53 109.5 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 108.034 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 61.67 30.25 18.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.2 -49.46 1.71 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.602 1.189 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.617 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.2 mp -60.38 125.99 83.32 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.485 0.756 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.518 ' O ' HD23 ' A' ' 82' ' ' LEU . 18.3 Cg_endo -74.99 154.31 42.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 81' ' ' PRO . 41.3 mt -122.26 35.35 4.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.4 m -107.55 140.97 39.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.411 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.0 t 61.98 39.69 13.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.049 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.735 ' O ' HD12 ' A' ' 49' ' ' ILE . 5.4 mmtm -125.67 -169.98 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.542 ' O ' HG23 ' A' ' 90' ' ' VAL . 22.3 p -128.87 165.46 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.378 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -43.9 -66.73 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLU . 1.3 mt-10 -44.8 -69.18 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 90' ' ' VAL . 11.2 mt-10 -38.14 -72.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.229 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 86' ' ' THR . 61.1 t -40.04 -60.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 95' ' ' SER . 1.1 tt0 -40.8 -63.84 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.84 -53.6 2.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.103 . . . . 0.0 109.991 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.486 HD13 ' CG2' ' A' ' 80' ' ' ILE . 35.6 mt -51.45 -43.78 31.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.624 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -74.63 -60.26 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -38.1 -43.42 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.26 110.58 15.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.99 179.96 1.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 m -173.08 118.71 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . 68.68 111.81 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.419 1.074 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.443 ' O ' ' O ' ' A' ' 99' ' ' GLY . 17.9 pm0 44.39 -171.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.01 143.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.27 133.08 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 110.261 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.507 HG12 HG13 ' A' ' 105' ' ' VAL . 9.7 tt -133.0 123.32 48.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 75' ' ' LEU . 6.6 m -109.36 107.61 17.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.162 . . . . 0.0 108.272 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.507 HG13 HG12 ' A' ' 103' ' ' ILE . 21.1 m -114.54 172.95 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.474 ' CZ ' HD12 ' A' ' 109' ' ' LEU . 2.4 ttt180 -115.4 117.66 31.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.5 mt -53.2 -58.13 8.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -53.63 -73.79 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.513 HD22 ' OE1' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -43.93 132.19 5.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -151.48 89.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLY . 5.1 mtt -53.89 132.0 41.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.76 87.8 7.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -95.33 140.87 15.26 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -179.43 4.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.98 140.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 35.8 p -138.5 110.39 7.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 1.082 . . . . 0.0 110.027 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.12 . . . . 0.0 111.065 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -171.34 144.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 0.0 110.037 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.21 150.29 22.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . 141.96 -96.17 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.558 1.161 . . . . 0.0 110.941 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 2.4 t 78.75 -57.84 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.422 0.719 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.23 86.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 110.048 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.83 92.01 0.51 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -151.01 121.4 7.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.56 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.756 ' CD2' ' CZ ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -60.97 173.03 0.84 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.51 1.131 . . . . 0.0 110.951 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.58 -16.86 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.756 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 10.8 p90 -109.39 162.6 19.55 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 120.47 6.09 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -137.21 173.5 11.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.625 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.25 135.87 13.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.41 ' NH1' ' OE2' ' A' ' 102' ' ' GLU . 5.9 mtp-105 -109.04 87.77 2.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mm -98.74 131.47 45.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.95 159.78 16.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.384 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.577 HG23 ' HB3' ' A' ' 61' ' ' SER . 5.3 mt -128.52 120.97 54.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.586 1.179 . . . . 0.0 109.373 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.82 144.72 30.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.435 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.781 ' HG3' HD13 ' A' ' 32' ' ' LEU . 2.4 ttt-85 -88.11 120.72 29.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -179.1 -67.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.83 106.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 tttt 43.79 86.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -81.1 114.84 20.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -158.65 -57.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 109.632 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 t -161.1 -48.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.397 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.4 m -51.78 144.72 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.37 146.58 29.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.926 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 140.11 -66.4 0.51 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -84.56 136.33 33.84 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 0.772 . . . . 0.0 109.345 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.49 -96.13 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.781 HD13 ' HG3' ' A' ' 20' ' ' ARG . 6.9 mp -42.02 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.17 81.61 0.1 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.492 1.12 . . . . 0.0 110.934 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.1 tt -154.18 129.13 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.8 115.35 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 52' ' ' TYR . 88.9 mt -117.75 138.67 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.427 HG22 ' CE2' ' A' ' 87' ' ' TYR . 35.1 t -118.16 118.71 59.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.97 -163.8 39.28 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.442 1.089 . . . . 0.0 111.055 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.13 51.21 2.77 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -124.48 129.59 50.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 0.755 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -55.71 134.47 51.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 110.389 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.2 mt -98.04 128.69 32.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 127.87 11.01 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.506 1.792 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 112.51 -34.8 4.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.55 142.47 30.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.559 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -41.2 -38.67 1.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.98 80.18 0.04 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.504 1.127 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -129.52 140.32 51.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 0.806 . . . . 0.0 110.251 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 85' ' ' LYS . 9.2 pt -91.36 149.72 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.16 -155.42 7.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.944 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -136.27 146.89 47.19 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.557 ' CE1' ' HD2' ' A' ' 40' ' ' LYS . 28.5 p90 -146.92 162.66 38.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.826 HD13 HD23 ' A' ' 68' ' ' LEU . 8.3 mt -78.04 102.97 4.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.68 -57.84 9.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.255 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -157.13 137.68 13.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.39 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.008 HD11 ' CD2' ' A' ' 68' ' ' LEU . 79.2 mt -92.16 130.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.91 150.11 30.22 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 129.95 12.85 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.1 40.38 95.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.63 172.6 20.33 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.89 ' O ' HG23 ' A' ' 65' ' ' THR . 0.4 OUTLIER -69.84 -35.31 74.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 0.8 . . . . 0.0 109.964 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' O ' HD12 ' A' ' 68' ' ' LEU . . . -62.24 -38.03 87.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.98 -30.72 44.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -63.97 -44.39 92.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.355 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 61' ' ' SER . 64.6 p -39.75 -36.95 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 110.356 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 60.52 25.54 63.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.504 1.127 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.75 -43.87 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.008 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -67.61 164.72 18.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.996 ' N ' HD22 ' A' ' 68' ' ' LEU . 11.9 mtt -152.56 118.1 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -40.82 149.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.54 11.96 84.24 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.45 108.14 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.513 ' OE1' HD22 ' A' ' 109' ' ' LEU . 44.1 tt0 -50.2 121.15 5.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.44 1.087 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.587 ' CG2' HD11 ' A' ' 103' ' ' ILE . 99.5 t -85.12 109.63 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.247 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 104' ' ' CYS . 2.7 mt -70.69 -55.62 8.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -137.08 164.77 27.63 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.48 1.112 . . . . 0.0 110.348 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.569 ' CZ2' ' HB1' ' A' ' 101' ' ' ALA . 6.9 t-105 -145.27 109.11 4.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 58.3 32.88 22.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.37 -56.05 1.06 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.663 ' H ' HD12 ' A' ' 80' ' ' ILE . 5.0 mp -57.54 124.12 65.95 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.434 0.726 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 149.62 36.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.469 1.773 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.744 HD22 HG13 ' A' ' 90' ' ' VAL . 40.9 mt -111.84 31.7 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 95.7 m -110.59 140.14 45.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.407 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p 69.15 30.77 4.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.477 ' O ' HD12 ' A' ' 49' ' ' ILE . 3.6 mmtm -122.94 -176.95 3.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 90' ' ' VAL . 71.8 p -121.77 156.91 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.427 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.427 ' CE2' HG22 ' A' ' 37' ' ' VAL . 11.1 t80 -37.66 -61.78 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLU . 5.5 mt-10 -49.56 -69.32 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 88' ' ' GLU . 48.7 mt-10 -38.84 -64.01 0.48 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.433 1.083 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.744 HG13 HD22 ' A' ' 82' ' ' LEU . 62.7 t -46.57 -58.25 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.412 ' O ' ' N ' ' A' ' 95' ' ' SER . 4.3 tt0 -41.89 -41.0 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -41.26 93.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 109.979 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.535 HD13 HG22 ' A' ' 80' ' ' ILE . 62.5 mt -63.44 -35.96 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.581 HD11 HG12 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -81.54 -59.96 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 91' ' ' GLN . 4.6 t -39.64 153.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 77.41 -170.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 71.73 63.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.229 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.8 p -81.65 74.23 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 110.052 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.548 ' O ' ' CB ' ' A' ' 100' ' ' GLU . . . 176.5 41.7 0.06 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.519 1.137 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 0.1 OUTLIER 89.34 168.76 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.254 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.569 ' HB1' ' CZ2' ' A' ' 77' ' ' TRP . . . -160.72 161.24 32.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' OE2' ' NH1' ' A' ' 15' ' ' ARG . 0.9 OUTLIER -121.75 139.63 53.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.587 HD11 ' CG2' ' A' ' 74' ' ' VAL . 11.2 tt -128.52 130.9 69.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 75' ' ' LEU . 43.6 m -113.98 103.98 11.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 108.28 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.5 m -109.01 179.79 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.448 ' NH2' ' CE2' ' A' ' 11' ' ' PHE . 22.6 ttm180 -120.53 109.2 14.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 107' ' ' LEU . 2.1 mt -47.67 -60.68 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.58 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.513 HD22 ' OE1' ' A' ' 73' ' ' GLN . 0.1 OUTLIER -57.57 172.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 110' ' ' ASN . 1.1 p30 -179.54 38.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.453 ' O ' ' CB ' ' A' ' 112' ' ' SER . 6.1 mmt 37.56 84.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 111' ' ' MET . 0.4 OUTLIER 81.5 -69.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 169.35 -174.83 43.76 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 104.63 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.478 1.778 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.1 151.9 44.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 34.7 t -128.25 162.93 25.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.034 179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -171.9 122.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.942 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -125.32 134.12 52.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.69 -77.29 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -176.46 104.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.048 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.51 148.99 38.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 110.004 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.63 -178.02 37.69 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.547 1.154 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -128.77 -170.24 2.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.521 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.703 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 17.4 m-85 -59.42 169.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.059 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.9 pt -74.66 -27.75 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.703 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 8.2 p90 -91.69 161.63 33.5 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.457 1.098 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.682 ' HB2' HD12 ' A' ' 107' ' ' LEU . 18.2 Cg_endo -75.01 121.55 6.64 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.482 1.78 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.4 171.59 14.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.593 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.473 ' O ' HD12 ' A' ' 16' ' ' ILE . . . -162.61 110.67 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -85.86 123.63 31.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.265 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 14' ' ' ALA . 4.1 mp -120.18 157.48 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.38 135.27 51.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.694 HD11 HG21 ' A' ' 103' ' ' ILE . 5.8 mm -88.19 114.82 27.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.32 128.68 50.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -83.46 148.6 27.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.234 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -89.94 165.44 14.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.33 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.33 96.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.23 142.92 25.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 109.227 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -152.18 100.11 2.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.64 85.75 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 109.644 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 95.5 m 63.78 153.21 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.5 m -51.6 -31.7 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.16 -91.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.924 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.24 -77.6 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -95.36 131.67 41.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 0.803 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.63 -169.42 31.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.423 1.077 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mt 57.24 177.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.251 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' CA ' ' HG ' ' A' ' 57' ' ' LEU . . . -140.41 90.59 0.19 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.496 1.123 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.694 HD12 ' CB ' ' A' ' 62' ' ' ALA . 5.5 tt -154.2 132.41 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.471 0.748 . . . . 0.0 109.352 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -108.47 106.9 17.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.498 ' CG2' ' HB1' ' A' ' 51' ' ' ALA . 45.2 mt -113.32 130.01 68.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 52' ' ' TYR . 55.7 t -105.91 114.15 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.535 ' HA3' HG21 ' A' ' 90' ' ' VAL . . . -88.27 -172.37 46.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 50.38 25.21 8.13 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -99.6 134.66 42.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.738 ' HG2' ' HE2' ' A' ' 45' ' ' HIS . 9.3 tt0 -57.23 125.65 23.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.711 HG23 ' HD2' ' A' ' 43' ' ' PRO . 43.3 mt -73.05 141.9 81.98 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.711 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.06 59.12 5.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.457 1.767 . . . . 0.0 111.014 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.23 93.83 0.73 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.738 ' HE2' ' HG2' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -160.14 -179.51 7.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 0.726 . . . . 0.0 109.633 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.23 54.28 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.32 72.09 1.05 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.155 . . . . 0.0 110.954 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.836 ' O ' HG23 ' A' ' 49' ' ' ILE . 2.8 tp10 -139.37 -152.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 0.757 . . . . 0.0 110.235 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.836 HG23 ' O ' ' A' ' 48' ' ' GLU . 1.6 pt -171.71 135.0 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -136.39 -171.44 12.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.553 1.158 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.498 ' HB1' ' CG2' ' A' ' 36' ' ' ILE . . . -118.4 154.12 32.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 0.721 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CE1' ' HB ' ' A' ' 37' ' ' VAL . 19.3 p90 -146.15 155.03 42.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.887 HD13 HD23 ' A' ' 68' ' ' LEU . 4.7 mt -72.34 95.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.426 1.078 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.46 -59.53 4.84 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 56' ' ' ILE . 9.5 tptm -156.36 127.69 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.039 HD11 ' CD2' ' A' ' 68' ' ' LEU . 13.6 mt -80.12 135.65 24.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' HG ' ' CA ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -53.73 157.16 4.11 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 112.97 3.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.417 1.746 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.98 50.67 63.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.81 -163.21 26.93 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 65' ' ' THR . 50.5 m -74.84 -48.85 22.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 0.752 . . . . 0.0 109.963 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.694 ' CB ' HD12 ' A' ' 34' ' ' ILE . . . -59.08 -30.45 68.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -79.76 -29.58 40.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.31 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 65' ' ' THR . 1.9 mt-30 -64.63 -45.54 86.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 61' ' ' SER . 68.8 p -38.01 -53.6 1.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.04 16.44 80.68 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.469 1.106 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.22 -41.35 2.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 0.789 . . . . 0.0 109.293 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 1.039 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -63.93 167.32 6.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.997 ' N ' HD22 ' A' ' 68' ' ' LEU . 44.6 mtt -157.18 126.01 5.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 111.065 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -46.76 149.17 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.372 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.25 2.25 90.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.508 1.13 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.04 113.32 20.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 110.942 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.494 ' OE1' HD22 ' A' ' 109' ' ' LEU . 15.9 tt0 -59.77 106.54 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.9 t -72.48 109.58 4.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.475 HD12 ' SG ' ' A' ' 104' ' ' CYS . 16.6 mt -65.97 -59.27 3.99 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 81' ' ' PRO . 1.4 mp0 -138.41 164.83 28.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.745 ' CG ' HG22 ' A' ' 94' ' ' ILE . 5.1 t-105 -143.56 114.57 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 108.021 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 64.08 29.5 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.89 -49.85 1.76 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.556 1.16 . . . . 0.0 110.993 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.591 ' H ' HD12 ' A' ' 80' ' ' ILE . 3.6 mp -62.03 122.57 73.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.747 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 18.5 Cg_endo -75.0 143.78 29.46 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.452 1.764 . . . . 0.0 111.043 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.565 HD22 HG13 ' A' ' 90' ' ' VAL . 18.3 mt -105.29 26.72 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.9 m -99.18 132.75 44.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.441 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t 69.85 30.52 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.17 . . . . 0.0 110.013 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -113.04 -174.45 2.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' TYR . 48.3 p -119.5 152.13 37.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' THR . 11.9 t80 -37.24 -57.29 0.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -52.89 -67.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 110.309 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 90' ' ' VAL . 67.0 mt-10 -38.84 -70.22 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.565 HG13 HD22 ' A' ' 82' ' ' LEU . 46.4 t -38.81 -59.51 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.588 ' HA ' HD11 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -52.6 -46.26 66.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -37.49 80.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.979 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 77.1 mt -68.81 -60.19 2.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.349 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.745 HG22 ' CG ' ' A' ' 77' ' ' TRP . 1.3 pt -57.01 -43.46 81.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 91' ' ' GLN . 71.8 m -69.04 -176.93 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.954 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 41.13 91.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.235 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -151.58 140.07 20.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m -46.92 -60.82 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.028 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.72 -133.14 1.48 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.432 1.083 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -38.98 145.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -139.82 154.99 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.32 132.84 43.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.694 HG21 HD11 ' A' ' 18' ' ' ILE . 9.7 tt -124.38 131.0 73.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.475 ' SG ' HD12 ' A' ' 75' ' ' LEU . 15.6 t -106.02 112.99 26.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 108.265 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.4 m -111.29 158.91 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 107' ' ' LEU . 42.7 ttt180 -109.81 111.12 22.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.682 HD12 ' HB2' ' A' ' 12' ' ' PRO . 10.6 mt -39.97 -59.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 109' ' ' LEU . 1.6 t0 -82.37 156.36 24.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.494 HD22 ' OE1' ' A' ' 73' ' ' GLN . 0.3 OUTLIER 87.33 119.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -139.05 136.96 35.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.3 mtt -85.01 -52.63 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.22 151.11 51.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 110.032 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -175.6 157.3 23.6 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -46.84 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.56 1.821 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.86 131.73 47.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.041 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.16 148.83 42.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.012 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.75 143.0 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 0.726 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m 59.3 155.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.02 -126.36 0.73 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.6 t -124.45 161.82 25.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 0.754 . . . . 0.0 109.989 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -95.05 167.32 11.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.7 167.07 23.48 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.051 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 70.83 141.76 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 109.597 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.751 ' CG ' ' CZ ' ' A' ' 11' ' ' PHE . 3.0 m-85 -76.65 153.73 34.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.8 pp -67.69 -15.6 19.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.751 ' CZ ' ' CG ' ' A' ' 9' ' ' TYR . 31.4 p90 -108.59 162.27 20.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 120.78 6.2 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.484 1.781 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.555 ' CE1' ' HG3' ' A' ' 15' ' ' ARG . 0.0 OUTLIER -137.44 172.87 12.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.604 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.25 132.96 18.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.555 ' HG3' ' CE1' ' A' ' 13' ' ' HIS . 73.4 mtm180 -105.46 93.94 4.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.344 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.1 mp -109.33 124.43 66.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -89.45 124.72 34.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.722 HD11 HG21 ' A' ' 103' ' ' ILE . 3.5 mt -83.47 121.64 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.63 126.98 55.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.89 95.55 0.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -167.88 160.74 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.365 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.82 156.41 4.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.11 -53.04 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.36 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -65.19 107.59 1.62 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 51.5 95.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.591 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.6 m -50.37 117.42 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.448 HG21 ' HB3' ' A' ' 30' ' ' ASN . 0.9 OUTLIER -40.95 -41.92 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t 70.19 108.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.984 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 42.1 93.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.448 ' HB3' HG21 ' A' ' 27' ' ' VAL . 0.6 OUTLIER 165.48 120.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 0.756 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.38 -146.71 1.54 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mp -53.83 -23.87 13.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 109.376 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 46.09 64.92 2.26 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.7 tt -129.9 135.23 61.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -114.29 108.93 17.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.358 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.481 HD13 HG21 ' A' ' 74' ' ' VAL . 83.2 mt -112.84 118.45 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.17 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 41.2 t -91.53 116.92 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.165 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -93.22 -178.14 40.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.404 1.065 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.91 48.94 36.9 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.16 138.03 53.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.51 138.25 57.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.404 HD13 ' NE2' ' A' ' 73' ' ' GLN . 13.1 mt -108.76 124.16 35.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.451 ' O ' HD11 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -74.95 78.02 2.98 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.42 1.747 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 127.25 70.73 0.17 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.86 42.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.592 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 44.94 61.93 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 38.11 68.66 0.4 Allowed Glycine 0 CA--C 1.532 1.119 0 O-C-N 124.502 1.126 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -116.31 144.35 44.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 0.818 . . . . 0.0 110.304 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 pt -99.17 140.33 18.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.94 -145.1 4.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.464 ' HB1' HG22 ' A' ' 36' ' ' ILE . . . -136.61 162.93 31.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.454 ' CB ' ' HA ' ' A' ' 73' ' ' GLN . 21.8 p90 -166.9 144.06 4.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.99 HG21 HD11 ' A' ' 56' ' ' ILE . 96.1 mt -55.95 127.74 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.55 -51.22 2.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 141.56 51.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.99 HD11 HG21 ' A' ' 53' ' ' ILE . 3.2 mt -133.6 80.94 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.34 154.93 2.68 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.05 145.28 31.07 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.522 1.801 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.92 -36.0 3.64 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -37.74 144.2 0.19 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.521 ' CB ' ' CG2' ' A' ' 18' ' ' ILE . 58.2 m -57.82 -24.91 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 0.805 . . . . 0.0 110.081 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.26 -55.78 8.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.406 1.066 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -65.54 -30.06 70.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -58.77 4.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.172 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 61' ' ' SER . 69.3 p -47.88 -40.36 21.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 110.375 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.61 55.14 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -117.6 -41.81 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 0.809 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.661 HD12 HD11 ' A' ' 53' ' ' ILE . 3.1 mm? -68.22 157.21 35.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.459 ' CG ' ' O ' ' A' ' 68' ' ' LEU . 20.6 mtm -161.16 143.44 12.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.9 150.33 3.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.99 -2.72 87.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.4 ' O ' ' HA ' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -83.65 121.06 26.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.918 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.454 ' HA ' ' CB ' ' A' ' 52' ' ' TYR . 23.3 tt0 -76.34 126.26 30.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.481 HG21 HD13 ' A' ' 36' ' ' ILE . 32.1 t -86.85 109.38 19.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 104' ' ' CYS . 5.9 mt -75.12 -59.39 2.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -130.69 151.99 50.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.485 ' CE2' HG23 ' A' ' 94' ' ' ILE . 15.9 t-105 -138.52 107.96 6.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 62.03 30.65 17.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 98.24 -52.79 1.21 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.466 1.104 . . . . 0.0 110.948 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.643 ' H ' HD12 ' A' ' 80' ' ' ILE . 4.3 mp -57.72 122.87 59.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.558 0.799 . . . . 0.0 109.37 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 145.4 31.74 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.609 HD21 HG21 ' A' ' 93' ' ' ILE . 33.0 mt -109.26 28.32 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.9 m -104.06 139.31 39.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 110.365 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 t 67.45 37.16 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.554 1.159 . . . . 0.0 109.985 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -126.81 -170.64 2.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.705 ' O ' HG23 ' A' ' 90' ' ' VAL . 16.2 p -128.54 161.21 30.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.17 . . . . 0.0 110.356 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -42.56 -52.26 4.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.413 1.07 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.58 -70.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.223 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 90' ' ' VAL . 5.1 mt-10 -39.92 -64.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.248 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 86' ' ' THR . 45.4 t -40.59 -61.8 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.237 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 95' ' ' SER . 1.4 tt0 -39.16 -59.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.11 -50.65 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.02 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.609 HG21 HD21 ' A' ' 82' ' ' LEU . 38.7 mt -54.35 -39.9 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.485 HG23 ' CE2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -77.97 -63.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.24 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 91' ' ' GLN . 0.1 OUTLIER -49.31 154.82 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 69.88 102.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -165.17 162.98 20.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -72.49 -58.54 3.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -168.62 -85.63 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 111.053 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 0.4 OUTLIER -65.78 169.05 6.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.428 0.722 . . . . 0.0 110.292 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.02 155.33 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.14 138.87 37.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.722 HG21 HD11 ' A' ' 18' ' ' ILE . 14.1 tt -129.99 122.58 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 75' ' ' LEU . 3.3 m -104.5 110.35 22.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 108.363 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 73' ' ' GLN . 28.3 m -105.34 -169.76 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.532 ' CZ ' ' CB ' ' A' ' 109' ' ' LEU . 1.2 ttp180 -140.94 114.89 9.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.494 ' O ' ' O ' ' A' ' 108' ' ' ASP . 5.4 mt -58.61 -69.76 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.494 ' O ' ' O ' ' A' ' 107' ' ' LEU . 34.3 t70 -42.38 169.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.532 ' CB ' ' CZ ' ' A' ' 106' ' ' ARG . 0.2 OUTLIER 77.54 -167.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 171.94 93.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 1.9 mmm -79.9 130.36 35.23 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.3 t 49.9 98.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.034 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -115.49 115.88 3.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.4 147.73 27.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.7 t -87.54 157.8 19.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.436 1.085 . . . . 0.0 111.035 -179.965 . . . . . . . . 0 0 . 1 stop_ save_